N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C19H20N2O2 — CID 17101720

IUPACN-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-11(2)18(22)20-14-6-8-17-16(10-14)21-19(23-17)15-7-5-12(3)9-13(15)4/h5-11H,1-4H3,(H,20,22)
InChIKeyXMAIYLGSMTVIAN-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.71
Rot. Bonds3

About N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 17101720) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
PubChem CID17101720
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-11(2)18(22)20-14-6-8-17-16(10-14)21-19(23-17)15-7-5-12(3)9-13(15)4/h5-11H,1-4H3,(H,20,22)
InChIKeyXMAIYLGSMTVIAN-UHFFFAOYSA-N
XLogP4.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6255396
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 7333470
(E)-3-(2,4-dichlorophenyl)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 6153578
5-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 4521394
2-chloro-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 2281369
N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 4551519
(E)-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274506
N-[2-(5-chloro-2-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 67332100
3,5-dichloro-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide
CID 121241160
2-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 17099656
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 17101720) is N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The InChIKey is XMAIYLGSMTVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-11(2)18(22)20-14-6-8-17-16(10-14)21-19(23-17)15-7-5-12(3)9-13(15)4/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 17101720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).