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

C15H13ClN2O3 — CID 3158108

IUPAC3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C15H13ClN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h1-7,14H,8-9H2,(H,17,19)
InChIKeyWGLYPIWNXBNHHH-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.74
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158108) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158108
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C15H13ClN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h1-7,14H,8-9H2,(H,17,19)
InChIKeyWGLYPIWNXBNHHH-UHFFFAOYSA-N
XLogP2.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158108) is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccco1)C1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WGLYPIWNXBNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h1-7,14H,8-9H2,(H,17,19).
What are the key properties of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 304.73 g/mol, XLogP of 2.74, 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)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).