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

C20H19N3O3 — CID 86991406

IUPAC3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)ccc1C
InChIInChI=1S/C20H19N3O3/c1-13-8-9-16(10-17(13)23-14(2)24)20(25)22-12-19-21-11-18(26-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDJFZDCLYFZHWDY-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.54
Rot. Bonds5

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

3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 86991406) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID86991406
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)ccc1C
InChIInChI=1S/C20H19N3O3/c1-13-8-9-16(10-17(13)23-14(2)24)20(25)22-12-19-21-11-18(26-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDJFZDCLYFZHWDY-UHFFFAOYSA-N
XLogP3.54
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86980186
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980193
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide (CID 86991406) is 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide is CC(=O)Nc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is DJFZDCLYFZHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-8-9-16(10-17(13)23-14(2)24)20(25)22-12-19-21-11-18(26-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).