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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Related Compounds

N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466309
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
4-fluoro-N-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765729
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzamide
CID 53055730
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 56792709
N-[2-[5-[(4-ethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-fluoro-N-methylbenzamide
CID 50765719
2-[(4-bromophenoxy)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82135422
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841

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).