2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one

C15H19NO2 — CID 82294744

IUPAC2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
SMILESCC(C)Cc1nc2cc(C(=O)C(C)C)ccc2o1
InChIInChI=1S/C15H19NO2/c1-9(2)7-14-16-12-8-11(15(17)10(3)4)5-6-13(12)18-14/h5-6,8-10H,7H2,1-4H3
InChIKeyKEPLYAUYNTTWPI-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one

2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one (PubChem CID 82294744) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
PubChem CID82294744
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
SMILESCC(C)Cc1nc2cc(C(=O)C(C)C)ccc2o1
InChIInChI=1S/C15H19NO2/c1-9(2)7-14-16-12-8-11(15(17)10(3)4)5-6-13(12)18-14/h5-6,8-10H,7H2,1-4H3
InChIKeyKEPLYAUYNTTWPI-UHFFFAOYSA-N
XLogP3.87
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one 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

1-(2-ethyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82285124
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]ethanone
CID 82285127
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82294745
2-(2,3,3-trimethylbutyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358696
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylbutan-1-one
CID 82289175
1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one
CID 167443385
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
1-[2-(chloromethyl)-1,3-benzoxazol-5-yl]ethanone
CID 83754292
2-(methylsulfanylmethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358364
2-bromo-1-(2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 131465087
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one (CID 82294744) is 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one is CC(C)Cc1nc2cc(C(=O)C(C)C)ccc2o1.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one?
The InChIKey is KEPLYAUYNTTWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)7-14-16-12-8-11(15(17)10(3)4)5-6-13(12)18-14/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one?
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one is sourced from PubChem (CID 82294744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).