(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one

C14H12N4O2 — CID 135763283

IUPAC(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCc1noc(C)c1C=N/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C14H12N4O2/c1-8-11(9(2)20-18-8)7-15-17-13-10-5-3-4-6-12(10)16-14(13)19/h3-7H,1-2H3,(H,16,17,19)
InChIKeyPKDHHGVCXXYBQZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.07
Rot. Bonds2

About (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135763283) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135763283
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCc1noc(C)c1C=N/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C14H12N4O2/c1-8-11(9(2)20-18-8)7-15-17-13-10-5-3-4-6-12(10)16-14(13)19/h3-7H,1-2H3,(H,16,17,19)
InChIKeyPKDHHGVCXXYBQZ-UHFFFAOYSA-N
XLogP2.07
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
3-[(9-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422623
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135676256
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
(3Z)-3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135515662

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135763283) is (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one is Cc1noc(C)c1C=N/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is PKDHHGVCXXYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-11(9(2)20-18-8)7-15-17-13-10-5-3-4-6-12(10)16-14(13)19/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 268.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135763283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).