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

C16H20N2O4 — CID 111466308

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CCO)cc2)oc1C
InChIInChI=1S/C16H20N2O4/c1-11-12(2)22-15(17-11)10-21-14-6-4-13(5-7-14)16(20)18(3)8-9-19/h4-7,19H,8-10H2,1-3H3
InChIKeyOWYAXUIOLXBYHQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.93
Rot. Bonds6

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 111466308) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID111466308
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CCO)cc2)oc1C
InChIInChI=1S/C16H20N2O4/c1-11-12(2)22-15(17-11)10-21-14-6-4-13(5-7-14)16(20)18(3)8-9-19/h4-7,19H,8-10H2,1-3H3
InChIKeyOWYAXUIOLXBYHQ-UHFFFAOYSA-N
XLogP1.93
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (CID 111466308) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is Cc1nc(COc2ccc(C(=O)N(C)CCO)cc2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is OWYAXUIOLXBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-12(2)22-15(17-11)10-21-14-6-4-13(5-7-14)16(20)18(3)8-9-19/h4-7,19H,8-10H2,1-3H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 111466308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).