5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole

C9H13ClN2O — CID 172532662

IUPAC5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2CCN(Cl)CC2)on1
InChIInChI=1S/C9H13ClN2O/c1-7-6-9(13-11-7)8-2-4-12(10)5-3-8/h6,8H,2-5H2,1H3
InChIKeyLUDJTKBZNRIZJQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.32
Rot. Bonds1

About 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole

5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole (PubChem CID 172532662) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
PubChem CID172532662
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2CCN(Cl)CC2)on1
InChIInChI=1S/C9H13ClN2O/c1-7-6-9(13-11-7)8-2-4-12(10)5-3-8/h6,8H,2-5H2,1H3
InChIKeyLUDJTKBZNRIZJQ-UHFFFAOYSA-N
XLogP2.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(oxan-4-yl)-1,2-oxazole
CID 116869005
4-(3-methyl-1,2-oxazol-5-yl)-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 166328509
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 166328524
[4-(3-methyl-1,2-oxazol-5-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 166328343
4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166328375
5-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
CID 166275815
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-(1-ethylpiperidin-4-yl)-1,2-oxazol-3-amine
CID 115093893
3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 46877829
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612
5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
CID 142020572

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole (CID 172532662) is 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole is Cc1cc(C2CCN(Cl)CC2)on1.
What is the InChIKey of 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole?
The InChIKey is LUDJTKBZNRIZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7-6-9(13-11-7)8-2-4-12(10)5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole?
5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole has a molecular weight of 200.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 172532662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).