(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone

C10H13ClN2O2 — CID 20868367

IUPAC(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1noc(C(=O)N2CCCCC2)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7-8(11)9(15-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyOSVKGJNIWLSVPH-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.26
Rot. Bonds1

About (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone

(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 20868367) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
PubChem CID20868367
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1noc(C(=O)N2CCCCC2)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7-8(11)9(15-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyOSVKGJNIWLSVPH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 5308711
(4-chloro-3-methyl-1,2-oxazol-5-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 20868361
azepan-1-yl-(3-methyl-4-phenylsulfanyl-1,2-oxazol-5-yl)methanone
CID 59436716
azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19442151
(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 71123087
4-chloro-N-cyclopentyl-3-methyl-1,2-oxazole-5-carboxamide
CID 126457824
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212
1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone
CID 83898486
5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
CID 117218628
[4-(aminomethyl)piperidin-1-yl]-(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)methanone
CID 59436952

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone (CID 20868367) is (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone is Cc1noc(C(=O)N2CCCCC2)c1Cl.
What is the InChIKey of (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is OSVKGJNIWLSVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-8(11)9(15-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3.
What are the key properties of (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone?
(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 228.68 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 20868367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).