3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol

C11H13NO2 — CID 117282271

IUPAC3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
SMILESCc1nc2c(CCCO)cccc2o1
InChIInChI=1S/C11H13NO2/c1-8-12-11-9(5-3-7-13)4-2-6-10(11)14-8/h2,4,6,13H,3,5,7H2,1H3
InChIKeyFUUPTCPYSZVNQE-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds3

About 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol

3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol (PubChem CID 117282271) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
PubChem CID117282271
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
SMILESCc1nc2c(CCCO)cccc2o1
InChIInChI=1S/C11H13NO2/c1-8-12-11-9(5-3-7-13)4-2-6-10(11)14-8/h2,4,6,13H,3,5,7H2,1H3
InChIKeyFUUPTCPYSZVNQE-UHFFFAOYSA-N
XLogP2.06
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol (CID 117282271) is 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol is Cc1nc2c(CCCO)cccc2o1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol?
The InChIKey is FUUPTCPYSZVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-12-11-9(5-3-7-13)4-2-6-10(11)14-8/h2,4,6,13H,3,5,7H2,1H3.
What are the key properties of 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol?
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol has a molecular weight of 191.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol is sourced from PubChem (CID 117282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).