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

C19H16Cl2N4O3 — CID 122189945

IUPACN-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H16Cl2N4O3/c1-10-7-12(23-19(27)24-13-3-5-15(20)16(21)8-13)4-6-17(10)25-18(26)14-9-22-28-11(14)2/h3-9H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyNOENRZWLSBYJLI-UHFFFAOYSA-N
MW419.27 g/mol
LogP5.49
Rot. Bonds4

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

N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189945) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189945
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC NameN-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H16Cl2N4O3/c1-10-7-12(23-19(27)24-13-3-5-15(20)16(21)8-13)4-6-17(10)25-18(26)14-9-22-28-11(14)2/h3-9H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyNOENRZWLSBYJLI-UHFFFAOYSA-N
XLogP5.49
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.27
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189945) is N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NOENRZWLSBYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-10-7-12(23-19(27)24-13-3-5-15(20)16(21)8-13)4-6-17(10)25-18(26)14-9-22-28-11(14)2/h3-9H,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).