(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide

C21H16IN3O3 — CID 118735992

IUPAC(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccccc3I)c3ccccc32)on1
InChIInChI=1S/C21H16IN3O3/c1-13-10-14(28-24-13)12-25-19-9-5-2-6-15(19)16(21(25)27)11-20(26)23-18-8-4-3-7-17(18)22/h2-11H,12H2,1H3,(H,23,26)/b16-11+
InChIKeyWNSNJLBVUWHVMO-LFIBNONCSA-N
MW485.28 g/mol
LogP4.16
Rot. Bonds4

About (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide

(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (PubChem CID 118735992) has the molecular formula C21H16IN3O3 and a molecular weight of 485.28 g/mol. Its IUPAC name is (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
PubChem CID118735992
Molecular FormulaC21H16IN3O3
Molecular Weight485.28 g/mol
Exact Mass485.02
IUPAC Name(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccccc3I)c3ccccc32)on1
InChIInChI=1S/C21H16IN3O3/c1-13-10-14(28-24-13)12-25-19-9-5-2-6-15(19)16(21(25)27)11-20(26)23-18-8-4-3-7-17(18)22/h2-11H,12H2,1H3,(H,23,26)/b16-11+
InChIKeyWNSNJLBVUWHVMO-LFIBNONCSA-N
XLogP4.16
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (CID 118735992) is (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccccc3I)c3ccccc32)on1.
What is the InChIKey of (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The InChIKey is WNSNJLBVUWHVMO-LFIBNONCSA-N. The full InChI is InChI=1S/C21H16IN3O3/c1-13-10-14(28-24-13)12-25-19-9-5-2-6-15(19)16(21(25)27)11-20(26)23-18-8-4-3-7-17(18)22/h2-11H,12H2,1H3,(H,23,26)/b16-11+.
What are the key properties of (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
(2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide has a molecular weight of 485.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-iodophenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 118735992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).