N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H13ClF2N2O2 — CID 50805507

IUPACN-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)cc1Cl
InChIInChI=1S/C18H13ClF2N2O2/c1-9-3-5-12(8-14(9)19)22-18(24)16-10(2)25-23-17(16)13-6-4-11(20)7-15(13)21/h3-8H,1-2H3,(H,22,24)
InChIKeyUZEHMAUCLUCSDN-UHFFFAOYSA-N
MW362.76 g/mol
LogP5.14
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805507) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805507
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)cc1Cl
InChIInChI=1S/C18H13ClF2N2O2/c1-9-3-5-12(8-14(9)19)22-18(24)16-10(2)25-23-17(16)13-6-4-11(20)7-15(13)21/h3-8H,1-2H3,(H,22,24)
InChIKeyUZEHMAUCLUCSDN-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.76
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
CID 50805811
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
3-(2-chloro-6-fluorophenyl)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52666564
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7922491
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 30548402
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805507) is N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccc(F)cc3F)noc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UZEHMAUCLUCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c1-9-3-5-12(8-14(9)19)22-18(24)16-10(2)25-23-17(16)13-6-4-11(20)7-15(13)21/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 362.76 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).