2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C18H17N3O2 — CID 6460359

IUPAC2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)11-16(22)19-12-17-20-18(21-23-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyIHRCRYRBAUMRGM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 6460359) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID6460359
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)11-16(22)19-12-17-20-18(21-23-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyIHRCRYRBAUMRGM-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994059
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230790
(R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71230992
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230799
(2S,3S)-3-{4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895845
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-Cyclopropyl-6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-3-carboxamide
CID 44580359
N-[1-[benzyl(methyl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230993
3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914912
N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881567
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881583

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 6460359) is 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is IHRCRYRBAUMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)11-16(22)19-12-17-20-18(21-23-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 6460359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).