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

C17H15ClN2O3 — CID 3158105

IUPAC3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-22-14-8-6-13(7-9-14)19-17(21)16-10-15(20-23-16)11-2-4-12(18)5-3-11/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyONDQPBIVVMVEIZ-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.48
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158105) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158105
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-22-14-8-6-13(7-9-14)19-17(21)16-10-15(20-23-16)11-2-4-12(18)5-3-11/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyONDQPBIVVMVEIZ-UHFFFAOYSA-N
XLogP3.48
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.48
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-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158105) is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ONDQPBIVVMVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-14-8-6-13(7-9-14)19-17(21)16-10-15(20-23-16)11-2-4-12(18)5-3-11/h2-9,16H,10H2,1H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 3.48, 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-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).