N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C12H9ClFN3O3 — CID 47245192

IUPACN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H9ClFN3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyJCLKMUGMROWBPN-UHFFFAOYSA-N
MW297.67 g/mol
LogP2.35
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 47245192) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID47245192
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H9ClFN3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyJCLKMUGMROWBPN-UHFFFAOYSA-N
XLogP2.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-2-pyridinyl)oxamide
CID 108530574
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 47245192) is N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is JCLKMUGMROWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-7-2-3-9(14)8(13)5-7/h2-5H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 297.67 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 47245192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).