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

C17H19FN2O2 — CID 139008423

IUPAC5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C17H19FN2O2/c1-2-14-15(19-11-22-14)16(21)20-17(7-4-8-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,20,21)
InChIKeyYWOGAFYCBLXWJI-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.27
Rot. Bonds5

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

5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide (PubChem CID 139008423) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
PubChem CID139008423
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C17H19FN2O2/c1-2-14-15(19-11-22-14)16(21)20-17(7-4-8-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,20,21)
InChIKeyYWOGAFYCBLXWJI-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-5-methyltriazole-4-carboxamide
CID 138996708
2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 119217767
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317834
1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168058
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
4-[[[1-[(3-fluorophenyl)methyl]cyclobutyl]amino]methyl]benzoic acid
CID 122033086
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126786115
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide (CID 139008423) is 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NC1(Cc2cccc(F)c2)CCC1.
What is the InChIKey of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YWOGAFYCBLXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-14-15(19-11-22-14)16(21)20-17(7-4-8-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,11H,2,4,7-8,10H2,1H3,(H,20,21).
What are the key properties of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139008423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).