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

C18H22N2O4 — CID 4883236

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O4/c1-12-17(13(2)24-20-12)11-23-15-7-5-14(6-8-15)18(21)19-10-16-4-3-9-22-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyGMEYDBNINRYQKD-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.78
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4883236) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4883236
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O4/c1-12-17(13(2)24-20-12)11-23-15-7-5-14(6-8-15)18(21)19-10-16-4-3-9-22-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyGMEYDBNINRYQKD-UHFFFAOYSA-N
XLogP2.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide (CID 4883236) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GMEYDBNINRYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-17(13(2)24-20-12)11-23-15-7-5-14(6-8-15)18(21)19-10-16-4-3-9-22-16/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,21).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4883236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).