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

C20H20N2O3 — CID 2664711

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-7-9-17(10-8-13)21-20(23)16-5-4-6-18(11-16)24-12-19-14(2)22-25-15(19)3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyDCLADOFXYLAYMQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.43
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide (PubChem CID 2664711) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide
PubChem CID2664711
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-7-9-17(10-8-13)21-20(23)16-5-4-6-18(11-16)24-12-19-14(2)22-25-15(19)3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyDCLADOFXYLAYMQ-UHFFFAOYSA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide (CID 2664711) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide?
The InChIKey is DCLADOFXYLAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-7-9-17(10-8-13)21-20(23)16-5-4-6-18(11-16)24-12-19-14(2)22-25-15(19)3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 2664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).