3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide

C16H13ClN2O4 — CID 111477183

IUPAC3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O4/c17-11-5-3-10(4-6-11)15-12(9-23-19-15)16(21)18-8-13(20)14-2-1-7-22-14/h1-7,9,13,20H,8H2,(H,18,21)
InChIKeyBNNPWORPYSRTGP-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.05
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide (PubChem CID 111477183) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide
PubChem CID111477183
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O4/c17-11-5-3-10(4-6-11)15-12(9-23-19-15)16(21)18-8-13(20)14-2-1-7-22-14/h1-7,9,13,20H,8H2,(H,18,21)
InChIKeyBNNPWORPYSRTGP-UHFFFAOYSA-N
XLogP3.05
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 111477736
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 24542676
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide (CID 111477183) is 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide is O=C(NCC(O)c1ccco1)c1conc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BNNPWORPYSRTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-11-5-3-10(4-6-11)15-12(9-23-19-15)16(21)18-8-13(20)14-2-1-7-22-14/h1-7,9,13,20H,8H2,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 111477183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).