3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol

C13H21NO2 — CID 115034079

IUPAC3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
SMILESOCCCc1ncc(C2CCCCCC2)o1
InChIInChI=1S/C13H21NO2/c15-9-5-8-13-14-10-12(16-13)11-6-3-1-2-4-7-11/h10-11,15H,1-9H2
InChIKeyAUGQVKFQVXPQHL-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.04
Rot. Bonds4

About 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol

3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol (PubChem CID 115034079) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
PubChem CID115034079
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
SMILESOCCCc1ncc(C2CCCCCC2)o1
InChIInChI=1S/C13H21NO2/c15-9-5-8-13-14-10-12(16-13)11-6-3-1-2-4-7-11/h10-11,15H,1-9H2
InChIKeyAUGQVKFQVXPQHL-UHFFFAOYSA-N
XLogP3.04
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol (CID 115034079) is 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol is OCCCc1ncc(C2CCCCCC2)o1.
What is the InChIKey of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol?
The InChIKey is AUGQVKFQVXPQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-9-5-8-13-14-10-12(16-13)11-6-3-1-2-4-7-11/h10-11,15H,1-9H2.
What are the key properties of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol?
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol is sourced from PubChem (CID 115034079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).