3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one

C19H20N2O2 — CID 59609948

IUPAC3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one
SMILESCc1cccc2oc(Nc3ccc(CC(=O)C(C)C)cc3)nc12
InChIInChI=1S/C19H20N2O2/c1-12(2)16(22)11-14-7-9-15(10-8-14)20-19-21-18-13(3)5-4-6-17(18)23-19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyJPUFUJZGAMMBNV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.65
Rot. Bonds5

About 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one

3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one (PubChem CID 59609948) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one
PubChem CID59609948
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one
SMILESCc1cccc2oc(Nc3ccc(CC(=O)C(C)C)cc3)nc12
InChIInChI=1S/C19H20N2O2/c1-12(2)16(22)11-14-7-9-15(10-8-14)20-19-21-18-13(3)5-4-6-17(18)23-19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyJPUFUJZGAMMBNV-UHFFFAOYSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-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

2,2-dimethyl-4-[4-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]phenyl]-4-oxobutanoic acid
CID 11293287
2-[(4-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83837550
2-N-(4-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832905
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
CID 119335823
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 7493434
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
sodium;hydride;4-methyl-1,3-benzoxazole-2-carboxylic acid
CID 173103744
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236992
2,2-dimethyl-3-(4-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 83859383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one (CID 59609948) is 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one is Cc1cccc2oc(Nc3ccc(CC(=O)C(C)C)cc3)nc12.
What is the InChIKey of 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one?
The InChIKey is JPUFUJZGAMMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)16(22)11-14-7-9-15(10-8-14)20-19-21-18-13(3)5-4-6-17(18)23-19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one?
3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(4-methyl-1,3-benzoxazol-2-yl)amino]phenyl]butan-2-one is sourced from PubChem (CID 59609948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).