N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H11ClN2O2S — CID 3241596

IUPACN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11ClN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19)
InChIKeyFBMLRODMIDYJRX-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3241596) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3241596
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11ClN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19)
InChIKeyFBMLRODMIDYJRX-UHFFFAOYSA-N
XLogP3.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3241596) is N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FBMLRODMIDYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).