2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol

C14H24N2O2 — CID 115085869

IUPAC2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCCCN2C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-7-5-4-6-12(16)14-15-8-13(18-14)11(3)9-17/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyNRJQJBGSCLAYIB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol

2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol (PubChem CID 115085869) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol
PubChem CID115085869
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCCCN2C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-7-5-4-6-12(16)14-15-8-13(18-14)11(3)9-17/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyNRJQJBGSCLAYIB-UHFFFAOYSA-N
XLogP2.71
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol (CID 115085869) is 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol is CC(CO)c1cnc(C2CCCCN2C(C)C)o1.
What is the InChIKey of 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol?
The InChIKey is NRJQJBGSCLAYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-7-5-4-6-12(16)14-15-8-13(18-14)11(3)9-17/h8,10-12,17H,4-7,9H2,1-3H3.
What are the key properties of 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol?
2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 115085869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).