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

C11H15NO — CID 58125585

IUPAC2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
SMILESCC1Nc2ccc(C(C)C)cc2O1
InChIInChI=1S/C11H15NO/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-8,12H,1-3H3
InChIKeyIQDXFPDQLGNGLS-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.96
Rot. Bonds1

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

2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole (PubChem CID 58125585) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
PubChem CID58125585
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
SMILESCC1Nc2ccc(C(C)C)cc2O1
InChIInChI=1S/C11H15NO/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-8,12H,1-3H3
InChIKeyIQDXFPDQLGNGLS-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-propan-2-yl-10H-phenoxazine
CID 67522543
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84627917
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
6-propan-2-yl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide
CID 156566199
(1R,9S,10S)-4-propan-2-yl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
CID 140872964
2-ethyl-7-propan-2-yl-10H-phenoxazine
CID 70831087
6-propan-2-yl-1,4-benzodioxine
CID 20686951
2,4-dimethyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620450
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
7-chloro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole (CID 58125585) is 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole is CC1Nc2ccc(C(C)C)cc2O1.
What is the InChIKey of 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is IQDXFPDQLGNGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h4-8,12H,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole?
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 177.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 58125585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).