1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone

C12H18N2O2 — CID 59542614

IUPAC1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H18N2O2/c1-9(2)10-4-7-14(8-5-10)12(15)11-3-6-13-16-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyKOUMLVWEHDPIEK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.18
Rot. Bonds2

About 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone

1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 59542614) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID59542614
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H18N2O2/c1-9(2)10-4-7-14(8-5-10)12(15)11-3-6-13-16-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyKOUMLVWEHDPIEK-UHFFFAOYSA-N
XLogP2.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-5-yl)methanone
CID 24945458
Tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 2738834
4,4-Dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23736486
N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
CID 46942971
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
[(5aR,9aS)-4-(oxan-4-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1,2-oxazol-5-yl)methanone
CID 97403392
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(1,2-oxazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97408157
4-(Cyclopropylmethyl)-5-methyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118738912
2-Methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 118739167
2-Methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 118739181
(1-Methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-(1,2-oxazol-5-yl)methanone
CID 118739236
6-Ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118742217

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone (CID 59542614) is 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is KOUMLVWEHDPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)10-4-7-14(8-5-10)12(15)11-3-6-13-16-11/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59542614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).