2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide

C18H19FN2O2 — CID 95288243

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN2O2/c19-15-7-5-14(6-8-15)18-21-16(12-23-18)9-10-20-17(22)11-13-3-1-2-4-13/h1,3,5-8,12-13H,2,4,9-11H2,(H,20,22)/t13-/m0/s1
InChIKeyNMVLQDQOMAFHOJ-ZDUSSCGKSA-N
MW314.36 g/mol
LogP3.50
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide (PubChem CID 95288243) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide
PubChem CID95288243
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN2O2/c19-15-7-5-14(6-8-15)18-21-16(12-23-18)9-10-20-17(22)11-13-3-1-2-4-13/h1,3,5-8,12-13H,2,4,9-11H2,(H,20,22)/t13-/m0/s1
InChIKeyNMVLQDQOMAFHOJ-ZDUSSCGKSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 97184194
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 131960865
(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 95299541
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591332
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 124757220
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide (CID 95288243) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide is O=C(C[C@H]1C=CCC1)NCCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide?
The InChIKey is NMVLQDQOMAFHOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-7-5-14(6-8-15)18-21-16(12-23-18)9-10-20-17(22)11-13-3-1-2-4-13/h1,3,5-8,12-13H,2,4,9-11H2,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 95288243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).