N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

C18H15FN2O2 — CID 46471110

IUPACN-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)20-18(22)17-10-16(21-23-17)13-4-3-5-14(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeyRRIDWCPAIBDWHU-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.35
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46471110) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID46471110
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)20-18(22)17-10-16(21-23-17)13-4-3-5-14(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeyRRIDWCPAIBDWHU-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

N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-(2,4-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 53111135
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17096006
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 87006047
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
methyl (2S)-2-[[3-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoate
CID 67353335

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 46471110) is N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RRIDWCPAIBDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-6-7-15(12(2)8-11)20-18(22)17-10-16(21-23-17)13-4-3-5-14(19)9-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-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-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46471110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).