Ethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate

HCID 46352822

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Basic information

CAS: 1189921-13-8
Standard SMILES: CCOC(=O)c1noc2ncn(CC(=O)NC3CCCC3)c(=O)c12
InChIKey: SNPKUZCOZVOFCJ-UHFFFAOYSA-N
Molecular formula: C15H18N4O5
Average molar mass: 334.33 g/mol
Monoisotopic mass: 334.12771969

Names & identifiers

Preferred name: Ethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate
IUPAC: ethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

Names & synonyms

1189921-13-8Ethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylateethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylateDTXSID501114073HMS5109A10AKOS004999553ethyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylateETHYL 5-[(CYCLOPENTYLCARBAMOYL)METHYL]-4-OXO-4H,5H-[1,2]OXAZOLO[5,4-D]PYRIMIDINE-3-CARBOXYLATEEthyl 5-[2-(cyclopentylamino)-2-oxoethyl]-4,5-dihydro-4-oxoisoxazolo[5,4-d]pyrimidine-3-carboxylate

Database identifiers

CAS: 1189921-13-8
PubChem CID: 46352822
DTXSID: DTXSID501114073

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 546

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