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

C21H23N3O2 — CID 52906307

IUPAC2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(-c2nnc(CC(=O)N[C@@H](C)CCc3ccccc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-8-12-18(13-9-15)21-24-23-20(26-21)14-19(25)22-16(2)10-11-17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyKDSPYIHURYTXBY-INIZCTEOSA-N
MW349.43 g/mol
LogP3.73
Rot. Bonds7

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

2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 52906307) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID52906307
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(-c2nnc(CC(=O)N[C@@H](C)CCc3ccccc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-8-12-18(13-9-15)21-24-23-20(26-21)14-19(25)22-16(2)10-11-17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyKDSPYIHURYTXBY-INIZCTEOSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95100278
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7633247
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348
2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
CID 47005814

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 52906307) is 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is Cc1ccc(-c2nnc(CC(=O)N[C@@H](C)CCc3ccccc3)o2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is KDSPYIHURYTXBY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-8-12-18(13-9-15)21-24-23-20(26-21)14-19(25)22-16(2)10-11-17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 52906307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).