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

C22H19N3O4 — CID 118735987

IUPAC(2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCOc1ccc(NC(=O)/C=C2/C(=O)N(Cc3cc(C)no3)c3ccccc32)cc1
InChIInChI=1S/C22H19N3O4/c1-14-11-17(29-24-14)13-25-20-6-4-3-5-18(20)19(22(25)27)12-21(26)23-15-7-9-16(28-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,26)/b19-12+
InChIKeyKUBKXVUAIJOGMV-XDHOZWIPSA-N
MW389.41 g/mol
LogP3.56
Rot. Bonds5

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

(2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (PubChem CID 118735987) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
PubChem CID118735987
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name(2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCOc1ccc(NC(=O)/C=C2/C(=O)N(Cc3cc(C)no3)c3ccccc32)cc1
InChIInChI=1S/C22H19N3O4/c1-14-11-17(29-24-14)13-25-20-6-4-3-5-18(20)19(22(25)27)12-21(26)23-15-7-9-16(28-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,26)/b19-12+
InChIKeyKUBKXVUAIJOGMV-XDHOZWIPSA-N
XLogP3.56
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.56
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)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (CID 118735987) is (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is COc1ccc(NC(=O)/C=C2/C(=O)N(Cc3cc(C)no3)c3ccccc32)cc1.
What is the InChIKey of (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The InChIKey is KUBKXVUAIJOGMV-XDHOZWIPSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-11-17(29-24-14)13-25-20-6-4-3-5-18(20)19(22(25)27)12-21(26)23-15-7-9-16(28-2)10-8-15/h3-12H,13H2,1-2H3,(H,23,26)/b19-12+.
What are the key properties of (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
(2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide has a molecular weight of 389.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-methoxyphenyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 118735987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).