5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C16H12ClN3O2 — CID 1093859

IUPAC5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H12ClN3O2/c17-13-6-2-1-5-12(13)15-8-14(20-22-15)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKeyMRPYHLKCZQDFRY-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.32
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093859) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID1093859
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H12ClN3O2/c17-13-6-2-1-5-12(13)15-8-14(20-22-15)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKeyMRPYHLKCZQDFRY-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 1093859) is 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MRPYHLKCZQDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-13-6-2-1-5-12(13)15-8-14(20-22-15)16(21)19-10-11-4-3-7-18-9-11/h1-9H,10H2,(H,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).