(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H14ClN5O2 — CID 51495750

IUPAC(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H14ClN5O2/c19-15-7-2-1-6-14(15)16-9-17(26-23-16)18(25)22-12-4-3-5-13(8-12)24-10-20-21-11-24/h1-8,10-11,17H,9H2,(H,22,25)/t17-/m0/s1
InChIKeyAMTSNOYNUNTDJP-KRWDZBQOSA-N
MW367.80 g/mol
LogP3.05
Rot. Bonds4

About (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51495750) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51495750
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C18H14ClN5O2/c19-15-7-2-1-6-14(15)16-9-17(26-23-16)18(25)22-12-4-3-5-13(8-12)24-10-20-21-11-24/h1-8,10-11,17H,9H2,(H,22,25)/t17-/m0/s1
InChIKeyAMTSNOYNUNTDJP-KRWDZBQOSA-N
XLogP3.05
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-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 (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51495750) is (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AMTSNOYNUNTDJP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-15-7-2-1-6-14(15)16-9-17(26-23-16)18(25)22-12-4-3-5-13(8-12)24-10-20-21-11-24/h1-8,10-11,17H,9H2,(H,22,25)/t17-/m0/s1.
What are the key properties of (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51495750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).