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

C20H21N3O2 — CID 97414224

IUPAC(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-17(15-9-5-4-6-10-15)20(24)22-18-12-8-7-11-16(18)13-19-21-14(2)23-25-19/h4-12,17H,3,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyAFAQTQXKMTVJIJ-QGZVFWFLSA-N
MW335.41 g/mol
LogP4.10
Rot. Bonds6

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

(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide (PubChem CID 97414224) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
PubChem CID97414224
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-17(15-9-5-4-6-10-15)20(24)22-18-12-8-7-11-16(18)13-19-21-14(2)23-25-19/h4-12,17H,3,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyAFAQTQXKMTVJIJ-QGZVFWFLSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
CID 97414222
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 90562115
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea
CID 71800478

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide (CID 97414224) is (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1.
What is the InChIKey of (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide?
The InChIKey is AFAQTQXKMTVJIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-17(15-9-5-4-6-10-15)20(24)22-18-12-8-7-11-16(18)13-19-21-14(2)23-25-19/h4-12,17H,3,13H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide?
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide has a molecular weight of 335.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 97414224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).