3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H19ClN2O3 — CID 1220078

IUPAC3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(19(23-26-13)16-5-3-4-6-17(16)21)20(24)22-12-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySRNCCFVGDLGKLM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.28
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1220078) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1220078
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(19(23-26-13)16-5-3-4-6-17(16)21)20(24)22-12-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySRNCCFVGDLGKLM-UHFFFAOYSA-N
XLogP4.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 1220078) is 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SRNCCFVGDLGKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-18(19(23-26-13)16-5-3-4-6-17(16)21)20(24)22-12-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1220078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).