N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide

C19H16ClFN2O2 — CID 110650112

IUPACN-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O2/c1-12-17(23-19(25-12)13-5-3-2-4-6-13)9-10-18(24)22-14-7-8-16(21)15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyYAOXYRAHGLWXEQ-UHFFFAOYSA-N
MW358.80 g/mol
LogP5.01
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide (PubChem CID 110650112) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
PubChem CID110650112
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O2/c1-12-17(23-19(25-12)13-5-3-2-4-6-13)9-10-18(24)22-14-7-8-16(21)15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyYAOXYRAHGLWXEQ-UHFFFAOYSA-N
XLogP5.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
N-(2,6-difluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110651429
methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110650660
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627458
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38789403
N-(3-chloro-4-fluorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334529
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
N-(3,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110651460
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide (CID 110650112) is N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide is Cc1oc(-c2ccccc2)nc1CCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide?
The InChIKey is YAOXYRAHGLWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12-17(23-19(25-12)13-5-3-2-4-6-13)9-10-18(24)22-14-7-8-16(21)15(20)11-14/h2-8,11H,9-10H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide has a molecular weight of 358.80 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110650112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).