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

C19H16N4O4 — CID 118736010

IUPAC(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3cc(C)no3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O4/c1-11-7-13(26-21-11)10-23-16-6-4-3-5-14(16)15(19(23)25)9-17(24)20-18-8-12(2)22-27-18/h3-9H,10H2,1-2H3,(H,20,24)/b15-9+
InChIKeyTXRDEJJUHKVHIP-OQLLNIDSSA-N
MW364.36 g/mol
LogP2.85
Rot. Bonds4

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

(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (PubChem CID 118736010) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
PubChem CID118736010
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESCc1cc(CN2C(=O)/C(=C/C(=O)Nc3cc(C)no3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O4/c1-11-7-13(26-21-11)10-23-16-6-4-3-5-14(16)15(19(23)25)9-17(24)20-18-8-12(2)22-27-18/h3-9H,10H2,1-2H3,(H,20,24)/b15-9+
InChIKeyTXRDEJJUHKVHIP-OQLLNIDSSA-N
XLogP2.85
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide (CID 118736010) is (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cc(C)no3)c3ccccc32)on1.
What is the InChIKey of (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
The InChIKey is TXRDEJJUHKVHIP-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-11-7-13(26-21-11)10-23-16-6-4-3-5-14(16)15(19(23)25)9-17(24)20-18-8-12(2)22-27-18/h3-9H,10H2,1-2H3,(H,20,24)/b15-9+.
What are the key properties of (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide?
(2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide has a molecular weight of 364.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 118736010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).