N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine

C14H14N6O — CID 51516724

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine
SMILESCc1ccc(-n2nnnc2C/C=N/c2cc(C)on2)cc1
InChIInChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-6,8-9H,7H2,1-2H3/b15-8+
InChIKeyHFKFUJKICLFFHH-OVCLIPMQSA-N
MW282.31 g/mol
LogP2.21
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine

N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine (PubChem CID 51516724) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine
PubChem CID51516724
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine
SMILESCc1ccc(-n2nnnc2C/C=N/c2cc(C)on2)cc1
InChIInChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-6,8-9H,7H2,1-2H3/b15-8+
InChIKeyHFKFUJKICLFFHH-OVCLIPMQSA-N
XLogP2.21
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazol-5-yl}isoxazole
CID 2744840
N-{2-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]vinyl}-N-(5-methyl-3-isoxazolyl)amine
CID 7285284
N-(5-methyl-3-isoxazolyl)-N-{2-[1-(4-methylphenyl)-1H-tetraazol-5-yl]vinyl}amine
CID 7285283
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 858292
5-methyl-N-[2-(1-phenyl-1H-tetraazol-5-yl)vinyl]-3-isoxazolamine
CID 7285286
5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
CID 2815387
5-[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
CID 2744452
2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
CID 51516723
N'-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboximidamide
CID 164536704
N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]cyclohexyl}-5-methyl-3-isoxazolamine
CID 16414044
N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
CID 139228191
5-tert-butyl-N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
CID 4062090

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine (CID 51516724) is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine is Cc1ccc(-n2nnnc2C/C=N/c2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine?
The InChIKey is HFKFUJKICLFFHH-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-3-5-12(6-4-10)20-14(16-18-19-20)7-8-15-13-9-11(2)21-17-13/h3-6,8-9H,7H2,1-2H3/b15-8+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine?
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine has a molecular weight of 282.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine is sourced from PubChem (CID 51516724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).