3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol

C11H13NO2 — CID 117282266

IUPAC3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
SMILESCc1noc2c(CCCO)cccc12
InChIInChI=1S/C11H13NO2/c1-8-10-6-2-4-9(5-3-7-13)11(10)14-12-8/h2,4,6,13H,3,5,7H2,1H3
InChIKeyUTEBIMVUIZKECU-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol (PubChem CID 117282266) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
PubChem CID117282266
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
SMILESCc1noc2c(CCCO)cccc12
InChIInChI=1S/C11H13NO2/c1-8-10-6-2-4-9(5-3-7-13)11(10)14-12-8/h2,4,6,13H,3,5,7H2,1H3
InChIKeyUTEBIMVUIZKECU-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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Related Compounds

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
CID 83877468
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
3-(2-methyl-1,3-benzoxazol-7-yl)propan-1-ol
CID 117282272
3-(1-benzofuran-7-yl)propan-1-ol
CID 117277310
3-naphthalen-1-ylpropan-1-ol
CID 14711518
3-(3-bromo-1-methylindazol-7-yl)propan-1-ol
CID 117425853
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
CID 117282271
3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
CID 68643622
ethyl 2-(3-methyl-1,2-benzoxazol-7-yl)-2-oxoacetate
CID 117337558
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
3-quinolin-4-ylpropan-1-ol
CID 21218471
7-isocyanato-3-methyl-1,2-benzoxazole
CID 83914679

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol?
The IUPAC name of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol (CID 117282266) is 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol?
The canonical SMILES for 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol is Cc1noc2c(CCCO)cccc12.
What is the InChIKey of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol?
The InChIKey is UTEBIMVUIZKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-10-6-2-4-9(5-3-7-13)11(10)14-12-8/h2,4,6,13H,3,5,7H2,1H3.
What are the key properties of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol?
3-(3-methyl-1,2-benzoxazol-7-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-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol is sourced from PubChem (CID 117282266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).