3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol

C9H17NO2 — CID 141086680

IUPAC3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol
SMILESCC1=COC(C)(C)N1CCCO
InChIInChI=1S/C9H17NO2/c1-8-7-12-9(2,3)10(8)5-4-6-11/h7,11H,4-6H2,1-3H3
InChIKeyFBLZMHNDZJTWDD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.30
Rot. Bonds3

About 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol

3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol (PubChem CID 141086680) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol
PubChem CID141086680
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol
SMILESCC1=COC(C)(C)N1CCCO
InChIInChI=1S/C9H17NO2/c1-8-7-12-9(2,3)10(8)5-4-6-11/h7,11H,4-6H2,1-3H3
InChIKeyFBLZMHNDZJTWDD-UHFFFAOYSA-N
XLogP1.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol?
The IUPAC name of 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol (CID 141086680) is 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol is CC1=COC(C)(C)N1CCCO.
What is the InChIKey of 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol?
The InChIKey is FBLZMHNDZJTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-7-12-9(2,3)10(8)5-4-6-11/h7,11H,4-6H2,1-3H3.
What are the key properties of 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol?
3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethyl-1,3-oxazol-3-yl)propan-1-ol is sourced from PubChem (CID 141086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).