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

C13H13FN2O2 — CID 47009713

IUPACN-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccc(F)c2)no1
InChIInChI=1S/C13H13FN2O2/c1-9-7-12(16-18-9)13(17)15-6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyBUGSTGJFRAQDSK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds4

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

N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 47009713) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID47009713
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccc(F)c2)no1
InChIInChI=1S/C13H13FN2O2/c1-9-7-12(16-18-9)13(17)15-6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyBUGSTGJFRAQDSK-UHFFFAOYSA-N
XLogP2.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 91813357
N-[2-(3-fluorophenyl)ethyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322122
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 47009713) is N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2cccc(F)c2)no1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BUGSTGJFRAQDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-7-12(16-18-9)13(17)15-6-5-10-3-2-4-11(14)8-10/h2-4,7-8H,5-6H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47009713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).