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

C19H16Cl2N2O2 — CID 46232628

IUPAC3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(14-10-8-13(20)9-11-14)19(24)17-12(2)25-22-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3
InChIKeyBIUINJZWFBORCW-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.62
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46232628) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID46232628
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(14-10-8-13(20)9-11-14)19(24)17-12(2)25-22-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3
InChIKeyBIUINJZWFBORCW-UHFFFAOYSA-N
XLogP5.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 46232628) is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BIUINJZWFBORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-3-23(14-10-8-13(20)9-11-14)19(24)17-12(2)25-22-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).