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

C12H12N6O — CID 65239815

IUPACN-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H12N6O/c1-13-6-10-7-15-19-12(10)9-3-2-4-11(5-9)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyOMEUPCUPOHZTMY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.04
Rot. Bonds4

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

N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine (PubChem CID 65239815) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
PubChem CID65239815
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H12N6O/c1-13-6-10-7-15-19-12(10)9-3-2-4-11(5-9)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3
InChIKeyOMEUPCUPOHZTMY-UHFFFAOYSA-N
XLogP1.04
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239812
1-(3-propylphenyl)tetrazole
CID 130450814
5-[2-(1-methylcyclopropyl)ethyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
CID 154781727
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
CID 62203211
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
1-ethyl-3-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carbaldehyde
CID 61265303
N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239645
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62113328
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine (CID 65239815) is N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine is CNCc1cnoc1-c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine?
The InChIKey is OMEUPCUPOHZTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-13-6-10-7-15-19-12(10)9-3-2-4-11(5-9)18-8-14-16-17-18/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine?
N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine has a molecular weight of 256.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65239815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).