3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide

C21H22N2O4 — CID 110671401

IUPAC3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2oc(C)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-14-23-20(15-7-5-4-6-8-15)18(27-14)11-12-22-21(24)16-9-10-17(25-2)19(13-16)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyGFIHEWYULYAZFA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.64
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide (PubChem CID 110671401) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
PubChem CID110671401
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2oc(C)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-14-23-20(15-7-5-4-6-8-15)18(27-14)11-12-22-21(24)16-9-10-17(25-2)19(13-16)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyGFIHEWYULYAZFA-UHFFFAOYSA-N
XLogP3.64
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
CID 84513228
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671413
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 110718742
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,6-dimethoxybenzamide
CID 110718737
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide (CID 110671401) is 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2oc(C)nc2-c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The InChIKey is GFIHEWYULYAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-23-20(15-7-5-4-6-8-15)18(27-14)11-12-22-21(24)16-9-10-17(25-2)19(13-16)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110671401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).