5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H20N6O — CID 169377570

IUPAC5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2-c2ncco2)C(N)=N1
InChIInChI=1S/C17H20N6O/c18-15-21-16(19)23(17(22-15)8-4-1-5-9-17)13-7-3-2-6-12(13)14-20-10-11-24-14/h2-3,6-7,10-11H,1,4-5,8-9H2,(H4,18,19,21,22)
InChIKeyWSKHYTUVODDIBC-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.45
Rot. Bonds2

About 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169377570) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169377570
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2-c2ncco2)C(N)=N1
InChIInChI=1S/C17H20N6O/c18-15-21-16(19)23(17(22-15)8-4-1-5-9-17)13-7-3-2-6-12(13)14-20-10-11-24-14/h2-3,6-7,10-11H,1,4-5,8-9H2,(H4,18,19,21,22)
InChIKeyWSKHYTUVODDIBC-UHFFFAOYSA-N
XLogP2.45
TPSA106.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374897
5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375014
5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378039
5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373620
5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374124
2-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 169374799
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
5-[2-(methoxymethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374746
5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375035
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,3-dimethylphenol
CID 169375793
5-[2-(piperidin-1-ylmethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374226
5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377070

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169377570) is 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccccc2-c2ncco2)C(N)=N1.
What is the InChIKey of 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is WSKHYTUVODDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-15-21-16(19)23(17(22-15)8-4-1-5-9-17)13-7-3-2-6-12(13)14-20-10-11-24-14/h2-3,6-7,10-11H,1,4-5,8-9H2,(H4,18,19,21,22).
What are the key properties of 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 324.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169377570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).