1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C12H12N6O — CID 106417775

IUPAC1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESc1ccc(-n2nnnc2CNCc2ccno2)cc1
InChIInChI=1S/C12H12N6O/c1-2-4-10(5-3-1)18-12(15-16-17-18)9-13-8-11-6-7-14-19-11/h1-7,13H,8-9H2
InChIKeyMAEFOIACPOJFNV-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.94
Rot. Bonds5

About 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 106417775) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID106417775
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESc1ccc(-n2nnnc2CNCc2ccno2)cc1
InChIInChI=1S/C12H12N6O/c1-2-4-10(5-3-1)18-12(15-16-17-18)9-13-8-11-6-7-14-19-11/h1-7,13H,8-9H2
InChIKeyMAEFOIACPOJFNV-UHFFFAOYSA-N
XLogP0.94
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 106417775) is 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is c1ccc(-n2nnnc2CNCc2ccno2)cc1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is MAEFOIACPOJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-2-4-10(5-3-1)18-12(15-16-17-18)9-13-8-11-6-7-14-19-11/h1-7,13H,8-9H2.
What are the key properties of 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 256.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 106417775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).