2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

C11H17ClN2O — CID 117259550

IUPAC2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2cnc(Cl)o2)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)10-7-13-11(12)15-10/h7-9H,3-6H2,1-2H3
InChIKeyNOHLHWNFZUWWJD-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole

2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (PubChem CID 117259550) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
PubChem CID117259550
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2cnc(Cl)o2)CC1
InChIInChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)10-7-13-11(12)15-10/h7-9H,3-6H2,1-2H3
InChIKeyNOHLHWNFZUWWJD-UHFFFAOYSA-N
XLogP2.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258855
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085113
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 117260590
2-chloro-4-(1-propan-2-ylpiperidin-4-yl)pyridine
CID 66509908
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine
CID 117105205
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
CID 117260542
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The IUPAC name of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole (CID 117259550) is 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The canonical SMILES for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is CC(C)N1CCC(c2cnc(Cl)o2)CC1.
What is the InChIKey of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
The InChIKey is NOHLHWNFZUWWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)14-5-3-9(4-6-14)10-7-13-11(12)15-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole?
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole has a molecular weight of 228.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 117259550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).