2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

C20H16N4O3 — CID 87045574

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C20H16N4O3/c1-12-7-8-14(19-23-21-11-27-19)9-17(12)22-18(25)10-24-13(2)15-5-3-4-6-16(15)20(24)26/h3-9,11H,2,10H2,1H3,(H,22,25)
InChIKeyYDPBTRXKUBQWKT-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.11
Rot. Bonds4

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 87045574) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID87045574
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C20H16N4O3/c1-12-7-8-14(19-23-21-11-27-19)9-17(12)22-18(25)10-24-13(2)15-5-3-4-6-16(15)20(24)26/h3-9,11H,2,10H2,1H3,(H,22,25)
InChIKeyYDPBTRXKUBQWKT-UHFFFAOYSA-N
XLogP3.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55731779
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 55731593
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 87045574) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(-c2nnco2)ccc1C.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is YDPBTRXKUBQWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-7-8-14(19-23-21-11-27-19)9-17(12)22-18(25)10-24-13(2)15-5-3-4-6-16(15)20(24)26/h3-9,11H,2,10H2,1H3,(H,22,25).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 87045574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).