5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine

C16H18N6O — CID 2815387

IUPAC5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(NC=Cc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C16H18N6O/c1-16(2,3)13-11-14(19-23-13)17-10-9-15-18-20-21-22(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19)
InChIKeyLHIGJMFRHCVHGZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.03
Rot. Bonds4

About 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine

5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine (PubChem CID 2815387) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
PubChem CID2815387
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(NC=Cc2nnnn2-c2ccccc2)no1
InChIInChI=1S/C16H18N6O/c1-16(2,3)13-11-14(19-23-13)17-10-9-15-18-20-21-22(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19)
InChIKeyLHIGJMFRHCVHGZ-UHFFFAOYSA-N
XLogP3.03
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{2-[1-(4-bromophenyl)-1H-tetraazol-5-yl]vinyl}-5-tert-butyl-3-isoxazolamine
CID 7285277
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
5-methyl-N-[2-(1-phenyl-1H-tetraazol-5-yl)vinyl]-3-isoxazolamine
CID 7285286
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-5-tert-butyl-1,2-oxazol-3-amine
CID 2815388
1-(5-methylisoxazol-3-yl)-3-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)urea
CID 7423839
N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-5-tert-butyl-1,2-oxazol-3-amine
CID 5714803
2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
CID 51516723
N-{1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]cyclohexyl}-5-methyl-3-isoxazolamine
CID 16414044
5-tert-butyl-N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
CID 4062090
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
CID 5059771
N-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
CID 6260417

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine (CID 2815387) is 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine is CC(C)(C)c1cc(NC=Cc2nnnn2-c2ccccc2)no1.
What is the InChIKey of 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
The InChIKey is LHIGJMFRHCVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(2,3)13-11-14(19-23-13)17-10-9-15-18-20-21-22(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine?
5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine has a molecular weight of 310.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 2815387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).