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

C17H15ClN2O4 — CID 111482092

IUPAC3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccco1
InChIInChI=1S/C17H15ClN2O4/c1-17(22,15-6-3-7-23-15)10-19-16(21)14-9-13(20-24-14)11-4-2-5-12(18)8-11/h2-9,22H,10H2,1H3,(H,19,21)
InChIKeyAUCURQFPVBENPJ-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.23
Rot. Bonds5

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

3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide (PubChem CID 111482092) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
PubChem CID111482092
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccco1
InChIInChI=1S/C17H15ClN2O4/c1-17(22,15-6-3-7-23-15)10-19-16(21)14-9-13(20-24-14)11-4-2-5-12(18)8-11/h2-9,22H,10H2,1H3,(H,19,21)
InChIKeyAUCURQFPVBENPJ-UHFFFAOYSA-N
XLogP3.23
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide (CID 111482092) is 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide is CC(O)(CNC(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccco1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is AUCURQFPVBENPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-17(22,15-6-3-7-23-15)10-19-16(21)14-9-13(20-24-14)11-4-2-5-12(18)8-11/h2-9,22H,10H2,1H3,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111482092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).