(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide

C20H16N4O3 — CID 118735988

IUPAC(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccncc3)c3ccccc32)on1
InChIInChI=1S/C20H16N4O3/c1-13-10-15(27-23-13)12-24-18-5-3-2-4-16(18)17(20(24)26)11-19(25)22-14-6-8-21-9-7-14/h2-11H,12H2,1H3,(H,21,22,25)/b17-11+
InChIKeyDISKSKIYCWVZPR-GZTJUZNOSA-N
MW360.37 g/mol
LogP2.95
Rot. Bonds4

About (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide

(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide (PubChem CID 118735988) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide
PubChem CID118735988
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccncc3)c3ccccc32)on1
InChIInChI=1S/C20H16N4O3/c1-13-10-15(27-23-13)12-24-18-5-3-2-4-16(18)17(20(24)26)11-19(25)22-14-6-8-21-9-7-14/h2-11H,12H2,1H3,(H,21,22,25)/b17-11+
InChIKeyDISKSKIYCWVZPR-GZTJUZNOSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide?
The IUPAC name of (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide (CID 118735988) is (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide.
What is the SMILES notation for (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide?
The canonical SMILES for (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide is Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccncc3)c3ccccc32)on1.
What is the InChIKey of (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide?
The InChIKey is DISKSKIYCWVZPR-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-10-15(27-23-13)12-24-18-5-3-2-4-16(18)17(20(24)26)11-19(25)22-14-6-8-21-9-7-14/h2-11H,12H2,1H3,(H,21,22,25)/b17-11+.
What are the key properties of (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide?
(2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide has a molecular weight of 360.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 118735988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).