1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone

C11H17N3O2 — CID 103605566

IUPAC1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccno2)CC1
InChIInChI=1S/C11H17N3O2/c1-9(15)14-6-3-10(4-7-14)12-8-11-2-5-13-16-11/h2,5,10,12H,3-4,6-8H2,1H3
InChIKeyRSVFGNSWXSSZSF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

About 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 103605566) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID103605566
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccno2)CC1
InChIInChI=1S/C11H17N3O2/c1-9(15)14-6-3-10(4-7-14)12-8-11-2-5-13-16-11/h2,5,10,12H,3-4,6-8H2,1H3
InChIKeyRSVFGNSWXSSZSF-UHFFFAOYSA-N
XLogP0.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
3-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-1-carboxamide
CID 106415578
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
CID 106415423
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone (CID 103605566) is 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ccno2)CC1.
What is the InChIKey of 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is RSVFGNSWXSSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(15)14-6-3-10(4-7-14)12-8-11-2-5-13-16-11/h2,5,10,12H,3-4,6-8H2,1H3.
What are the key properties of 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103605566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).