3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide

C19H13ClN2O3 — CID 22575714

IUPAC3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H13ClN2O3/c20-14-6-3-12(4-7-14)18-16-10-13(5-8-17(16)22-25-18)19(23)21-11-15-2-1-9-24-15/h1-10H,11H2,(H,21,23)
InChIKeyJCUTYSGULGLZET-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.67
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide

3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 22575714) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
PubChem CID22575714
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H13ClN2O3/c20-14-6-3-12(4-7-14)18-16-10-13(5-8-17(16)22-25-18)19(23)21-11-15-2-1-9-24-15/h1-10H,11H2,(H,21,23)
InChIKeyJCUTYSGULGLZET-UHFFFAOYSA-N
XLogP4.67
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-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

Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712
1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)isoquinoline-7-carboxamide
CID 53102297
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
N-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 41111162
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 58716628
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide (CID 22575714) is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is JCUTYSGULGLZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-6-3-12(4-7-14)18-16-10-13(5-8-17(16)22-25-18)19(23)21-11-15-2-1-9-24-15/h1-10H,11H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide?
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 22575714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).