N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide

C19H20N2O2 — CID 23102429

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H20N2O2/c1-12-9-10-13(11-15(12)21-18(22)19(2,3)4)17-20-14-7-5-6-8-16(14)23-17/h5-11H,1-4H3,(H,21,22)
InChIKeyVKOCELKNGWNHGU-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.79
Rot. Bonds2

About N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 23102429) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID23102429
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H20N2O2/c1-12-9-10-13(11-15(12)21-18(22)19(2,3)4)17-20-14-7-5-6-8-16(14)23-17/h5-11H,1-4H3,(H,21,22)
InChIKeyVKOCELKNGWNHGU-UHFFFAOYSA-N
XLogP4.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30307943
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
S-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 2-methylbenzenecarbothioate
CID 22300612
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 10815304
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185179
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1364375
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 17101730
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 1366787
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
2-(1-adamantyl)-N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide
CID 5197012

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide (CID 23102429) is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is VKOCELKNGWNHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-9-10-13(11-15(12)21-18(22)19(2,3)4)17-20-14-7-5-6-8-16(14)23-17/h5-11H,1-4H3,(H,21,22).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 23102429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).