3-methyl-6-propan-2-yl-2H-1,3-benzoxazole

C11H15NO — CID 59286012

IUPAC3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
SMILESCC(C)c1ccc2c(c1)OCN2C
InChIInChI=1S/C11H15NO/c1-8(2)9-4-5-10-11(6-9)13-7-12(10)3/h4-6,8H,7H2,1-3H3
InChIKeyMWQOCBACUYJVBQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.60
Rot. Bonds1

About 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole

3-methyl-6-propan-2-yl-2H-1,3-benzoxazole (PubChem CID 59286012) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
PubChem CID59286012
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
SMILESCC(C)c1ccc2c(c1)OCN2C
InChIInChI=1S/C11H15NO/c1-8(2)9-4-5-10-11(6-9)13-7-12(10)3/h4-6,8H,7H2,1-3H3
InChIKeyMWQOCBACUYJVBQ-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole?
The IUPAC name of 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole (CID 59286012) is 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole?
The canonical SMILES for 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole is CC(C)c1ccc2c(c1)OCN2C.
What is the InChIKey of 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole?
The InChIKey is MWQOCBACUYJVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)9-4-5-10-11(6-9)13-7-12(10)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole?
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole has a molecular weight of 177.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2H-1,3-benzoxazole is sourced from PubChem (CID 59286012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).