N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H11ClN2O2S — CID 15988683

IUPACN-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11ClN2O2S/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-13(20-18-12)14-6-3-7-21-14/h2-8H,1H3,(H,17,19)
InChIKeyPGWDVQRTRIAAIS-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.62
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 15988683) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID15988683
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.78 g/mol
Exact Mass318.02
IUPAC NameN-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11ClN2O2S/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-13(20-18-12)14-6-3-7-21-14/h2-8H,1H3,(H,17,19)
InChIKeyPGWDVQRTRIAAIS-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 15988683) is N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PGWDVQRTRIAAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-9-10(16)4-2-5-11(9)17-15(19)12-8-13(20-18-12)14-6-3-7-21-14/h2-8H,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 318.78 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).