N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C14H9ClN2O3 — CID 17253048

IUPACN-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18)
InChIKeyDXBYQRJSCQFVHC-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.84
Rot. Bonds3

About N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17253048) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID17253048
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC NameN-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18)
InChIKeyDXBYQRJSCQFVHC-UHFFFAOYSA-N
XLogP3.84
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 17253048) is N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DXBYQRJSCQFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)16-14(18)11-8-13(20-17-11)12-5-2-6-19-12/h1-8H,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.69 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).