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

C20H16Cl2N2O2 — CID 46232657

IUPAC3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H16Cl2N2O2/c1-12-18(19(23-26-12)16-4-2-3-5-17(16)22)20(25)24(15-10-11-15)14-8-6-13(21)7-9-14/h2-9,15H,10-11H2,1H3
InChIKeyLQZPUMYRRURNAJ-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.77
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46232657) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID46232657
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H16Cl2N2O2/c1-12-18(19(23-26-12)16-4-2-3-5-17(16)22)20(25)24(15-10-11-15)14-8-6-13(21)7-9-14/h2-9,15H,10-11H2,1H3
InChIKeyLQZPUMYRRURNAJ-UHFFFAOYSA-N
XLogP5.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232628
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 126962398
3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
CID 46232411
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110886583
3-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803491
3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-methyl-1,2-oxazole-4-carboxamide
CID 98075927

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (CID 46232657) is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LQZPUMYRRURNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-12-18(19(23-26-12)16-4-2-3-5-17(16)22)20(25)24(15-10-11-15)14-8-6-13(21)7-9-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.77, 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-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).