(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

C10H13ClN2O2 — CID 63392780

IUPAC(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)on1
InChIInChI=1S/C10H13ClN2O2/c1-7-5-9(15-12-7)10(14)13-4-2-3-8(11)6-13/h5,8H,2-4,6H2,1H3
InChIKeyLHAZZUKYVJOJHB-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.83
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 63392780) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID63392780
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)on1
InChIInChI=1S/C10H13ClN2O2/c1-7-5-9(15-12-7)10(14)13-4-2-3-8(11)6-13/h5,8H,2-4,6H2,1H3
InChIKeyLHAZZUKYVJOJHB-UHFFFAOYSA-N
XLogP1.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92553909
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
2-(3-methyl-1,2-oxazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 66866376
5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214558

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (CID 63392780) is (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCCC(Cl)C2)on1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is LHAZZUKYVJOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-5-9(15-12-7)10(14)13-4-2-3-8(11)6-13/h5,8H,2-4,6H2,1H3.
What are the key properties of (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 228.68 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 63392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).