N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H17ClN2O2 — CID 155961618

IUPACN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H17ClN2O2/c17-11-4-5-12-10(7-11)3-6-13(12)18-16(20)15-8-14(19-21-15)9-1-2-9/h4-5,7,9,13,15H,1-3,6,8H2,(H,18,20)/t13-,15?/m0/s1
InChIKeyUMSXGJCVJPTYJI-CFMCSPIPSA-N
MW304.78 g/mol
LogP3.00
Rot. Bonds3

About N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155961618) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155961618
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H17ClN2O2/c17-11-4-5-12-10(7-11)3-6-13(12)18-16(20)15-8-14(19-21-15)9-1-2-9/h4-5,7,9,13,15H,1-3,6,8H2,(H,18,20)/t13-,15?/m0/s1
InChIKeyUMSXGJCVJPTYJI-CFMCSPIPSA-N
XLogP3.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-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 N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155961618) is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(N[C@H]1CCc2cc(Cl)ccc21)C1CC(C2CC2)=NO1.
What is the InChIKey of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UMSXGJCVJPTYJI-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-11-4-5-12-10(7-11)3-6-13(12)18-16(20)15-8-14(19-21-15)9-1-2-9/h4-5,7,9,13,15H,1-3,6,8H2,(H,18,20)/t13-,15?/m0/s1.
What are the key properties of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155961618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).