[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone

C15H16ClN3O2 — CID 124593259

IUPAC[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
SMILESN[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-6-2-1-5-11(12)14-13(18-9-21-14)15(20)19-7-3-4-10(17)8-19/h1-2,5-6,9-10H,3-4,7-8,17H2/t10-/m0/s1
InChIKeyKKBSYZGUGGBCHD-JTQLQIEISA-N
MW305.76 g/mol
LogP2.56
Rot. Bonds2

About [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone

[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone (PubChem CID 124593259) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
PubChem CID124593259
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
SMILESN[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-6-2-1-5-11(12)14-13(18-9-21-14)15(20)19-7-3-4-10(17)8-19/h1-2,5-6,9-10H,3-4,7-8,17H2/t10-/m0/s1
InChIKeyKKBSYZGUGGBCHD-JTQLQIEISA-N
XLogP2.56
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 154844847
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
CID 111462853
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone (CID 124593259) is [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone is N[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is KKBSYZGUGGBCHD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-6-2-1-5-11(12)14-13(18-9-21-14)15(20)19-7-3-4-10(17)8-19/h1-2,5-6,9-10H,3-4,7-8,17H2/t10-/m0/s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone?
[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 305.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 124593259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).