3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol

C13H22N2O2 — CID 115042702

IUPAC3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESCc1oc(CCCO)nc1C1CCCN(C)C1
InChIInChI=1S/C13H22N2O2/c1-10-13(11-5-3-7-15(2)9-11)14-12(17-10)6-4-8-16/h11,16H,3-9H2,1-2H3
InChIKeyFCLWQFZRYCFHQB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.72
Rot. Bonds4

About 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol

3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115042702) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115042702
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESCc1oc(CCCO)nc1C1CCCN(C)C1
InChIInChI=1S/C13H22N2O2/c1-10-13(11-5-3-7-15(2)9-11)14-12(17-10)6-4-8-16/h11,16H,3-9H2,1-2H3
InChIKeyFCLWQFZRYCFHQB-UHFFFAOYSA-N
XLogP1.72
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol (CID 115042702) is 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol is Cc1oc(CCCO)nc1C1CCCN(C)C1.
What is the InChIKey of 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is FCLWQFZRYCFHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-13(11-5-3-7-15(2)9-11)14-12(17-10)6-4-8-16/h11,16H,3-9H2,1-2H3.
What are the key properties of 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol?
3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115042702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).