1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine

C19H20N4O — CID 155151982

IUPAC1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine
SMILESCc1noc(C)c1/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1
InChIInChI=1S/C19H20N4O/c1-12-18(13(2)24-23-12)19(14-6-4-3-5-7-14)21-16-8-9-17-15(10-16)11-20-22-17/h6,8-11H,3-5,7H2,1-2H3,(H,20,22)/b21-19+
InChIKeyXXAYLAWNQDXCLR-XUTLUUPISA-N
MW320.40 g/mol
LogP4.79
Rot. Bonds3

About 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine

1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine (PubChem CID 155151982) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine
PubChem CID155151982
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine
SMILESCc1noc(C)c1/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1
InChIInChI=1S/C19H20N4O/c1-12-18(13(2)24-23-12)19(14-6-4-3-5-7-14)21-16-8-9-17-15(10-16)11-20-22-17/h6,8-11H,3-5,7H2,1-2H3,(H,20,22)/b21-19+
InChIKeyXXAYLAWNQDXCLR-XUTLUUPISA-N
XLogP4.79
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine (CID 155151982) is 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine is Cc1noc(C)c1/C(=N/c1ccc2[nH]ncc2c1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine?
The InChIKey is XXAYLAWNQDXCLR-XUTLUUPISA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-18(13(2)24-23-12)19(14-6-4-3-5-7-14)21-16-8-9-17-15(10-16)11-20-22-17/h6,8-11H,3-5,7H2,1-2H3,(H,20,22)/b21-19+.
What are the key properties of 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine?
1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine has a molecular weight of 320.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine is sourced from PubChem (CID 155151982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).