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

C15H17FN2O2 — CID 3360516

IUPAC3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-3-13-14(10(2)20-18-13)15(19)17-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeySULCPUIBJYXSPW-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.66
Rot. Bonds5

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

3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3360516) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3360516
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-3-13-14(10(2)20-18-13)15(19)17-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeySULCPUIBJYXSPW-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-c][1,2]oxazol-5-yl]butan-1-one
CID 23645931
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
Cambridge id 5777587
CID 869900
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3360516) is 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SULCPUIBJYXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-13-14(10(2)20-18-13)15(19)17-9-8-11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3360516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).