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

C21H21FN2O3 — CID 25162227

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c1-14-19(15(2)27-23-14)13-26-20-7-5-4-6-18(20)21(25)24(3)12-16-8-10-17(22)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyJKSBGHIVCPARRQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.28
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 25162227) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID25162227
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c1-14-19(15(2)27-23-14)13-26-20-7-5-4-6-18(20)21(25)24(3)12-16-8-10-17(22)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyJKSBGHIVCPARRQ-UHFFFAOYSA-N
XLogP4.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4846811
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl}{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}methanone
CID 25161947
3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 9884036
1-(3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenyl)-ethanone
CID 10430858
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-2-methoxy-phenyl)-ethanone
CID 10432600
1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy)phenyl]ethanone
CID 10453356

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 25162227) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is JKSBGHIVCPARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-19(15(2)27-23-14)13-26-20-7-5-4-6-18(20)21(25)24(3)12-16-8-10-17(22)11-9-16/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 25162227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).