(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone

C12H14F2N2O2 — CID 121184581

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)3-5-16(6-4-12)11(17)9-7-10(18-15-9)8-1-2-8/h7-8H,1-6H2
InChIKeyNILUCSNGAQMVSC-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.42
Rot. Bonds2

About (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 121184581) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID121184581
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)3-5-16(6-4-12)11(17)9-7-10(18-15-9)8-1-2-8/h7-8H,1-6H2
InChIKeyNILUCSNGAQMVSC-UHFFFAOYSA-N
XLogP2.42
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695132
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131687867
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone (CID 121184581) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCC(F)(F)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is NILUCSNGAQMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-12(14)3-5-16(6-4-12)11(17)9-7-10(18-15-9)8-1-2-8/h7-8H,1-6H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 256.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 121184581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).