4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide

C22H24N2O3 — CID 2466288

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)19-7-5-6-8-21(19)23-22(25)17-9-11-18(12-10-17)26-13-20-15(3)24-27-16(20)4/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyZCBZTNMRYCCAOX-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.25
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 2466288) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID2466288
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)19-7-5-6-8-21(19)23-22(25)17-9-11-18(12-10-17)26-13-20-15(3)24-27-16(20)4/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyZCBZTNMRYCCAOX-UHFFFAOYSA-N
XLogP5.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide (CID 2466288) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is ZCBZTNMRYCCAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)19-7-5-6-8-21(19)23-22(25)17-9-11-18(12-10-17)26-13-20-15(3)24-27-16(20)4/h5-12,14H,13H2,1-4H3,(H,23,25).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 2466288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).