(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

C14H17F3N2O2 — CID 164635503

IUPAC(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1conc1C1CC1)N1CCC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)6-9-2-1-5-19(7-9)13(20)11-8-21-18-12(11)10-3-4-10/h8-10H,1-7H2/t9-/m1/s1
InChIKeySGUCFZZYXSDWLJ-SECBINFHSA-N
MW302.30 g/mol
LogP3.36
Rot. Bonds3

About (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 164635503) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID164635503
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1conc1C1CC1)N1CCC[C@H](CC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)6-9-2-1-5-19(7-9)13(20)11-8-21-18-12(11)10-3-4-10/h8-10H,1-7H2/t9-/m1/s1
InChIKeySGUCFZZYXSDWLJ-SECBINFHSA-N
XLogP3.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-cyclopropyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128989695
3-cyclopropyl-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124882157
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 154758654
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90641503
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 126816278
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
3-(4-propan-2-ylcyclohexyl)-1,2-oxazole-4-carboxylic acid
CID 125426240
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170256

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 164635503) is (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is O=C(c1conc1C1CC1)N1CCC[C@H](CC(F)(F)F)C1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is SGUCFZZYXSDWLJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)6-9-2-1-5-19(7-9)13(20)11-8-21-18-12(11)10-3-4-10/h8-10H,1-7H2/t9-/m1/s1.
What are the key properties of (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-4-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 164635503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).