2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole

C11H13NO — CID 158371515

IUPAC2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole
SMILESC=C1Nc2cccc(C(C)C)c2O1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-4-6-10-11(9)13-8(3)12-10/h4-7,12H,3H2,1-2H3
InChIKeyFJQMIPNNYDLWFO-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.09
Rot. Bonds1

About 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole

2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole (PubChem CID 158371515) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole.

Molecular Properties

Compound Name2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole
PubChem CID158371515
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole
SMILESC=C1Nc2cccc(C(C)C)c2O1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-4-6-10-11(9)13-8(3)12-10/h4-7,12H,3H2,1-2H3
InChIKeyFJQMIPNNYDLWFO-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175725025
1,2-di(propan-2-yl)benzene;dihydrate
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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole?
The IUPAC name of 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole (CID 158371515) is 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole.
What is the SMILES notation for 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole?
The canonical SMILES for 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole is C=C1Nc2cccc(C(C)C)c2O1.
What is the InChIKey of 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole?
The InChIKey is FJQMIPNNYDLWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)9-5-4-6-10-11(9)13-8(3)12-10/h4-7,12H,3H2,1-2H3.
What are the key properties of 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole?
2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole has a molecular weight of 175.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole is sourced from PubChem (CID 158371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).