[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C15H17F3N2O4 — CID 100768913

IUPAC[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1conc1C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)13-10(8-24-19-13)7-23-14(22)9-5-12(21)20(6-9)11-3-1-2-4-11/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyHCKCOHYRPMSMGV-VIFPVBQESA-N
MW346.31 g/mol
LogP2.53
Rot. Bonds4

About [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 100768913) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID100768913
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1conc1C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)13-10(8-24-19-13)7-23-14(22)9-5-12(21)20(6-9)11-3-1-2-4-11/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyHCKCOHYRPMSMGV-VIFPVBQESA-N
XLogP2.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8640863
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 97010220
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 9166154
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
[2-(4-chloroanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 124579992
[2-(4-bromophenyl)-2-oxoethyl] 1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 3736756
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
(3S)-1-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 125163304

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 100768913) is [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is O=C(OCc1conc1C(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HCKCOHYRPMSMGV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)13-10(8-24-19-13)7-23-14(22)9-5-12(21)20(6-9)11-3-1-2-4-11/h8-9,11H,1-7H2/t9-/m0/s1.
What are the key properties of [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
[3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 346.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2-oxazol-4-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 100768913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).