N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H15FN2O2 — CID 975481

IUPACN-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-8-9-14(19)15(10-11)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyOKEPWJZMUDAYJU-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.35
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 975481) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID975481
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-8-9-14(19)15(10-11)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyOKEPWJZMUDAYJU-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
T56-LIMKi
CID 9438169
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 975481) is N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(F)c(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OKEPWJZMUDAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-8-9-14(19)15(10-11)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).