2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide

C15H17N3O2 — CID 66621016

IUPAC2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide
SMILESNC(=O)c1cccc2oc([C@]34CCC[C@H](CN3)C4)nc12
InChIInChI=1S/C15H17N3O2/c16-13(19)10-4-1-5-11-12(10)18-14(20-11)15-6-2-3-9(7-15)8-17-15/h1,4-5,9,17H,2-3,6-8H2,(H2,16,19)/t9-,15+/m0/s1
InChIKeyQWCSAVLPVREFLW-BJOHPYRUSA-N
MW271.32 g/mol
LogP1.92
Rot. Bonds2

About 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide

2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide (PubChem CID 66621016) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide
PubChem CID66621016
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide
SMILESNC(=O)c1cccc2oc([C@]34CCC[C@H](CN3)C4)nc12
InChIInChI=1S/C15H17N3O2/c16-13(19)10-4-1-5-11-12(10)18-14(20-11)15-6-2-3-9(7-15)8-17-15/h1,4-5,9,17H,2-3,6-8H2,(H2,16,19)/t9-,15+/m0/s1
InChIKeyQWCSAVLPVREFLW-BJOHPYRUSA-N
XLogP1.92
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25183353
2-(1-benzyl-2-methylpyrrolidin-2-yl)-1,3-benzoxazole-4-carboxamide
CID 68627071
2-[9-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6,9-diazaspiro[4.5]decan-6-yl]-1,3-benzoxazole-4-carboxamide
CID 140530050
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
CID 66620652
2-(1-methylcyclohexyl)-1,3-benzoxazole-4-carboxylic acid
CID 106829419
2-[(1R,5R)-6-(5-hydroxypentyl)-6-azabicyclo[3.2.1]octan-5-yl]-1H-benzimidazole-4-carboxamide
CID 68952134
2-(6-azaspiro[3.4]octan-7-yl)-1H-benzimidazole-4-carboxamide
CID 25229961
2-[3-hydroxybutyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-benzoxazole-4-carboxamide
CID 140530064
2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229833
2-(N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)anilino)-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 140530101
2-(diethylaminomethyl)-1,3-benzoxazole-4-carboxamide
CID 143625797
2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229837

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide (CID 66621016) is 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide is NC(=O)c1cccc2oc([C@]34CCC[C@H](CN3)C4)nc12.
What is the InChIKey of 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide?
The InChIKey is QWCSAVLPVREFLW-BJOHPYRUSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-13(19)10-4-1-5-11-12(10)18-14(20-11)15-6-2-3-9(7-15)8-17-15/h1,4-5,9,17H,2-3,6-8H2,(H2,16,19)/t9-,15+/m0/s1.
What are the key properties of 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide?
2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-6-azabicyclo[3.2.1]octan-5-yl]-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 66621016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).