5-[(4-Tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

HCID 33744256

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Basic information

CAS: 1092282-56-8
Standard SMILES: CC(C)(C)c1ccc(OCc2nnc(N)o2)cc1
InChIKey: WKLHGBZSFIJFEC-UHFFFAOYSA-N
Molecular formula: C13H17N3O2
Average molar mass: 247.29 g/mol
Monoisotopic mass: 247.13207679

Names & identifiers

Preferred name: 5-[(4-Tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
IUPAC: 5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

Names & synonyms

5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-amine1092282-56-85-((4-(Tert-butyl)phenoxy)methyl)-1,3,4-oxadiazol-2(3h)-imineF2145-0691DTXSID60652862AKOS015957749CS-0272590EN300-234747

Database identifiers

CAS: 1092282-56-8
PubChem CID: 33744256
DTXSID: DTXSID60652862

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 74.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 259

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