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

C13H13FN2O2 — CID 9040097

IUPAC3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-3-11-12(8(2)18-16-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyBCMKHHBMNONZGS-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.94
Rot. Bonds3

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

3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 9040097) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID9040097
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c1-3-11-12(8(2)18-16-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyBCMKHHBMNONZGS-UHFFFAOYSA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
N-[4-(4-bromophenyl)sulfanylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18274326
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
2-[5-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339195
3-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 30790659
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 29201390
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 9040097) is 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BCMKHHBMNONZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-11-12(8(2)18-16-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).