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

C24H21N3O3 — CID 19244479

IUPACN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H21N3O3/c1-16-15-19(29-2)13-14-20(16)22-23(27-30-26-22)25-24(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,25,27,28)
InChIKeyTVPKQIZGKHURJE-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.82
Rot. Bonds6

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

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide (PubChem CID 19244479) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
PubChem CID19244479
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H21N3O3/c1-16-15-19(29-2)13-14-20(16)22-23(27-30-26-22)25-24(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,25,27,28)
InChIKeyTVPKQIZGKHURJE-UHFFFAOYSA-N
XLogP4.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide (CID 19244479) is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide is COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
The InChIKey is TVPKQIZGKHURJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-15-19(29-2)13-14-20(16)22-23(27-30-26-22)25-24(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,25,27,28).
What are the key properties of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide?
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide has a molecular weight of 399.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 19244479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).