N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

C20H21N3O2 — CID 25282570

IUPACN,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCN(C)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H21N3O2/c1-23(2)20(24)13-12-18-21-22-19(25-18)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyIRIUEIJHOSMXFQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds6

About N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25282570) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID25282570
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCN(C)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H21N3O2/c1-23(2)20(24)13-12-18-21-22-19(25-18)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyIRIUEIJHOSMXFQ-UHFFFAOYSA-N
XLogP3.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42119384
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25454031
1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42112850
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 28953543
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973925
methyl 4-[[methyl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]benzoate
CID 37414906
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
5-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911711

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 25282570) is N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is CN(C)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is IRIUEIJHOSMXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)20(24)13-12-18-21-22-19(25-18)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25282570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).