2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide

C17H19N3O2 — CID 66620853

IUPAC2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc([C@]34CC[C@H](CN3C3CC3)C4)oc12
InChIInChI=1S/C17H19N3O2/c18-15(21)12-2-1-3-13-14(12)22-16(19-13)17-7-6-10(8-17)9-20(17)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,21)/t10-,17+/m0/s1
InChIKeyRLZQVNVSLSDXFD-DYZYQPBXSA-N
MW297.36 g/mol
LogP2.40
Rot. Bonds3

About 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide

2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide (PubChem CID 66620853) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide
PubChem CID66620853
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc([C@]34CC[C@H](CN3C3CC3)C4)oc12
InChIInChI=1S/C17H19N3O2/c18-15(21)12-2-1-3-13-14(12)22-16(19-13)17-7-6-10(8-17)9-20(17)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,21)/t10-,17+/m0/s1
InChIKeyRLZQVNVSLSDXFD-DYZYQPBXSA-N
XLogP2.40
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide (CID 66620853) is 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide is NC(=O)c1cccc2nc([C@]34CC[C@H](CN3C3CC3)C4)oc12.
What is the InChIKey of 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is RLZQVNVSLSDXFD-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-15(21)12-2-1-3-13-14(12)22-16(19-13)17-7-6-10(8-17)9-20(17)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,21)/t10-,17+/m0/s1.
What are the key properties of 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide?
2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptan-1-yl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 66620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).