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

C19H16Cl2N4O3 — CID 122189939

IUPACN-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H16Cl2N4O3/c1-10-3-4-13(8-17(10)25-18(26)14-9-22-28-11(14)2)24-19(27)23-12-5-6-15(20)16(21)7-12/h3-9H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyIGGHWLHRLGOOBG-UHFFFAOYSA-N
MW419.27 g/mol
LogP5.49
Rot. Bonds4

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

N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189939) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189939
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC NameN-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H16Cl2N4O3/c1-10-3-4-13(8-17(10)25-18(26)14-9-22-28-11(14)2)24-19(27)23-12-5-6-15(20)16(21)7-12/h3-9H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyIGGHWLHRLGOOBG-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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Related Compounds

N-[5-[[2,2-bis(4-chlorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189922
N-[5-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189933
5-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189934
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189935
N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189936
N-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189937
N-[5-[(3,5-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189938
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189940
N-[4-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189942
N-[4-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189944
N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189945
N-[4-[(3,5-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189946

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189939) is N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IGGHWLHRLGOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-10-3-4-13(8-17(10)25-18(26)14-9-22-28-11(14)2)24-19(27)23-12-5-6-15(20)16(21)7-12/h3-9H,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[(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-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).