[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C13H20N2O2 — CID 59000968

IUPAC[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)CC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-11-4-7-15(8-5-11)13(16)12-3-6-14-17-12/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyMYIYPWQPNBZOHS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.57
Rot. Bonds3

About [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 59000968) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID59000968
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)CC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-11-4-7-15(8-5-11)13(16)12-3-6-14-17-12/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyMYIYPWQPNBZOHS-UHFFFAOYSA-N
XLogP2.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137633152
3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-5-yl)methanone
CID 24945458
N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640398
5-Isoxazoyl-Cha-Ile-NH2
CID 49788154
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-[(2S)-1-[[(2S,3S)-1-[[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 49788234
N-[(2S)-1-[[(2S,3S)-1-[[5-[4-(aminomethyl)piperidin-1-yl]-5-oxopentyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 49788235
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

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 59000968) is [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is CC(C)CC1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is MYIYPWQPNBZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)9-11-4-7-15(8-5-11)13(16)12-3-6-14-17-12/h3,6,10-11H,4-5,7-9H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 59000968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).