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

C18H13Cl3N2O2 — CID 1009220

IUPAC3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O2/c1-10-16(17(23-25-10)12-4-2-3-5-13(12)19)18(24)22-9-11-6-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24)
InChIKeyXLTISCJLIKQZLA-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.54
Rot. Bonds4

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

3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1009220) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1009220
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Name3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O2/c1-10-16(17(23-25-10)12-4-2-3-5-13(12)19)18(24)22-9-11-6-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24)
InChIKeyXLTISCJLIKQZLA-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78875899
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008
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-[[2-(furan-2-yl)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91630452
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78881990
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121196657
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 92659553
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 1009220) is 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XLTISCJLIKQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c1-10-16(17(23-25-10)12-4-2-3-5-13(12)19)18(24)22-9-11-6-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 395.67 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1009220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).