2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

C22H24N2O5S — CID 30823999

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-14(17-9-11-18(12-10-17)30(4,26)27)23-22(25)19-7-5-6-8-21(19)28-13-20-15(2)24-29-16(20)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m1/s1
InChIKeyHNGFAOVWHXBEEO-CQSZACIVSA-N
MW428.51 g/mol
LogP3.76
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 30823999) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID30823999
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-14(17-9-11-18(12-10-17)30(4,26)27)23-22(25)19-7-5-6-8-21(19)28-13-20-15(2)24-29-16(20)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m1/s1
InChIKeyHNGFAOVWHXBEEO-CQSZACIVSA-N
XLogP3.76
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 30823999) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is HNGFAOVWHXBEEO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-14(17-9-11-18(12-10-17)30(4,26)27)23-22(25)19-7-5-6-8-21(19)28-13-20-15(2)24-29-16(20)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 428.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30823999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).