2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile

C20H20N4O3 — CID 59516906

IUPAC2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile
SMILESCOCc1cc(OC)cc(C(C#N)Nc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-13-22-20(24-27-13)15-4-6-17(7-5-15)23-19(11-21)16-8-14(12-25-2)9-18(10-16)26-3/h4-10,19,23H,12H2,1-3H3
InChIKeyUGPFQCVUPHGRSE-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.88
Rot. Bonds7

About 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile

2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile (PubChem CID 59516906) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile.

Molecular Properties

Compound Name2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile
PubChem CID59516906
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile
SMILESCOCc1cc(OC)cc(C(C#N)Nc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-13-22-20(24-27-13)15-4-6-17(7-5-15)23-19(11-21)16-8-14(12-25-2)9-18(10-16)26-3/h4-10,19,23H,12H2,1-3H3
InChIKeyUGPFQCVUPHGRSE-UHFFFAOYSA-N
XLogP3.88
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-1-methylsulfanylethylidene]carbamic acid
CID 162076938
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148
6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 72891572
3-[cyano-(4-methoxyanilino)methyl]benzonitrile
CID 60987197
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-[2-fluoro-5-methoxy-3-tri(propan-2-yl)silyloxyphenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]ethanethioamide
CID 87267293
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 13237457
2-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 65026574
2-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]ethanethioamide
CID 59516855
6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carbonitrile
CID 171091306

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile?
The IUPAC name of 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile (CID 59516906) is 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile.
What is the SMILES notation for 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile?
The canonical SMILES for 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile is COCc1cc(OC)cc(C(C#N)Nc2ccc(-c3noc(C)n3)cc2)c1.
What is the InChIKey of 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile?
The InChIKey is UGPFQCVUPHGRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-22-20(24-27-13)15-4-6-17(7-5-15)23-19(11-21)16-8-14(12-25-2)9-18(10-16)26-3/h4-10,19,23H,12H2,1-3H3.
What are the key properties of 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile?
2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile has a molecular weight of 364.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetonitrile is sourced from PubChem (CID 59516906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).