4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole

C13H20N2O2 — CID 115041530

IUPAC4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole
SMILESc1oc(CC2CCCCN2)nc1C1CCCO1
InChIInChI=1S/C13H20N2O2/c1-2-6-14-10(4-1)8-13-15-11(9-17-13)12-5-3-7-16-12/h9-10,12,14H,1-8H2
InChIKeyAILBWVFUOZWPRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole

4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole (PubChem CID 115041530) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole
PubChem CID115041530
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole
SMILESc1oc(CC2CCCCN2)nc1C1CCCO1
InChIInChI=1S/C13H20N2O2/c1-2-6-14-10(4-1)8-13-15-11(9-17-13)12-5-3-7-16-12/h9-10,12,14H,1-8H2
InChIKeyAILBWVFUOZWPRC-UHFFFAOYSA-N
XLogP2.21
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041557
4-(oxan-3-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041538
2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115083052
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
CID 105463941
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
CID 84734264
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole (CID 115041530) is 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole is c1oc(CC2CCCCN2)nc1C1CCCO1.
What is the InChIKey of 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is AILBWVFUOZWPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-6-14-10(4-1)8-13-15-11(9-17-13)12-5-3-7-16-12/h9-10,12,14H,1-8H2.
What are the key properties of 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole?
4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole has a molecular weight of 236.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 115041530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).