N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide

C24H21N3O2 — CID 19244584

IUPACN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-13-14-17(2)20(15-16)22-23(27-29-26-22)25-24(28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,25,27,28)
InChIKeyRSDAKNVGCSLUJS-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.12
Rot. Bonds5

About N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide (PubChem CID 19244584) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
PubChem CID19244584
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-13-14-17(2)20(15-16)22-23(27-29-26-22)25-24(28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,25,27,28)
InChIKeyRSDAKNVGCSLUJS-UHFFFAOYSA-N
XLogP5.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244479
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
CID 19244494
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
CID 19244562
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 19244563
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide
CID 19244528
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19244778
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-2,2-diphenylacetamide
CID 30851445
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide (CID 19244584) is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide is Cc1ccc(C)c(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The InChIKey is RSDAKNVGCSLUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-13-14-17(2)20(15-16)22-23(27-29-26-22)25-24(28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,25,27,28).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide has a molecular weight of 383.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 19244584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).