N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate

C24H24N2O4 — CID 21211864

IUPACN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1.O
InChIInChI=1S/C24H22N2O3.H2O/c1-15-8-11-22-20(12-15)26-24(29-22)18-10-9-16(2)19(13-18)25-23(27)14-28-21-7-5-4-6-17(21)3;/h4-13H,14H2,1-3H3,(H,25,27);1H2
InChIKeyQFFDCNQHJMHVAG-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.61
Rot. Bonds5

About N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate

N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate (PubChem CID 21211864) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
PubChem CID21211864
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1.O
InChIInChI=1S/C24H22N2O3.H2O/c1-15-8-11-22-20(12-15)26-24(29-22)18-10-9-16(2)19(13-18)25-23(27)14-28-21-7-5-4-6-17(21)3;/h4-13H,14H2,1-3H3,(H,25,27);1H2
InChIKeyQFFDCNQHJMHVAG-UHFFFAOYSA-N
XLogP4.61
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate 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

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
2-(2,3-dimethylphenoxy)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 5134743
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 3581240
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
2-methoxy-N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 22779464
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1364375
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1362782

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate (CID 21211864) is N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate is Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1.O.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate?
The InChIKey is QFFDCNQHJMHVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.H2O/c1-15-8-11-22-20(12-15)26-24(29-22)18-10-9-16(2)19(13-18)25-23(27)14-28-21-7-5-4-6-17(21)3;/h4-13H,14H2,1-3H3,(H,25,27);1H2.
What are the key properties of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate?
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate has a molecular weight of 404.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate is sourced from PubChem (CID 21211864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).