7-methyl-3-propan-2-yl-2,1-benzoxazole

C11H13NO — CID 88983483

IUPAC7-methyl-3-propan-2-yl-2,1-benzoxazole
SMILESCc1cccc2c(C(C)C)onc12
InChIInChI=1S/C11H13NO/c1-7(2)11-9-6-4-5-8(3)10(9)12-13-11/h4-7H,1-3H3
InChIKeyVXWOVHYSWBEIFB-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.26
Rot. Bonds1

About 7-methyl-3-propan-2-yl-2,1-benzoxazole

7-methyl-3-propan-2-yl-2,1-benzoxazole (PubChem CID 88983483) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-2,1-benzoxazole.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-2,1-benzoxazole
PubChem CID88983483
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-methyl-3-propan-2-yl-2,1-benzoxazole
SMILESCc1cccc2c(C(C)C)onc12
InChIInChI=1S/C11H13NO/c1-7(2)11-9-6-4-5-8(3)10(9)12-13-11/h4-7H,1-3H3
InChIKeyVXWOVHYSWBEIFB-UHFFFAOYSA-N
XLogP3.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-2,1-benzoxazole?
The IUPAC name of 7-methyl-3-propan-2-yl-2,1-benzoxazole (CID 88983483) is 7-methyl-3-propan-2-yl-2,1-benzoxazole.
What is the SMILES notation for 7-methyl-3-propan-2-yl-2,1-benzoxazole?
The canonical SMILES for 7-methyl-3-propan-2-yl-2,1-benzoxazole is Cc1cccc2c(C(C)C)onc12.
What is the InChIKey of 7-methyl-3-propan-2-yl-2,1-benzoxazole?
The InChIKey is VXWOVHYSWBEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)11-9-6-4-5-8(3)10(9)12-13-11/h4-7H,1-3H3.
What are the key properties of 7-methyl-3-propan-2-yl-2,1-benzoxazole?
7-methyl-3-propan-2-yl-2,1-benzoxazole has a molecular weight of 175.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-2,1-benzoxazole is sourced from PubChem (CID 88983483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).