N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide

C18H23N3O2 — CID 167806781

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3NCC34CCCC4)ccc2o1
InChIInChI=1S/C18H23N3O2/c1-11(2)17-21-13-9-12(5-6-14(13)23-17)20-16(22)15-18(10-19-15)7-3-4-8-18/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,22)
InChIKeyXXOGECXGFIKNQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.42
Rot. Bonds3

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide (PubChem CID 167806781) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
PubChem CID167806781
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3NCC34CCCC4)ccc2o1
InChIInChI=1S/C18H23N3O2/c1-11(2)17-21-13-9-12(5-6-14(13)23-17)20-16(22)15-18(10-19-15)7-3-4-8-18/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,22)
InChIKeyXXOGECXGFIKNQC-UHFFFAOYSA-N
XLogP3.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)thiomorpholine-3-carboxamide
CID 82896929
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
CID 55620281
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide (CID 167806781) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide is CC(C)c1nc2cc(NC(=O)C3NCC34CCCC4)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide?
The InChIKey is XXOGECXGFIKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(2)17-21-13-9-12(5-6-14(13)23-17)20-16(22)15-18(10-19-15)7-3-4-8-18/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide is sourced from PubChem (CID 167806781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).