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

C14H16N6O — CID 106372826

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
SMILESCc1nc(CNCc2nnnn2-c2ccccc2)oc1C
InChIInChI=1S/C14H16N6O/c1-10-11(2)21-14(16-10)9-15-8-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyZHNJLYUUZUDRKV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.56
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine (PubChem CID 106372826) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
PubChem CID106372826
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
SMILESCc1nc(CNCc2nnnn2-c2ccccc2)oc1C
InChIInChI=1S/C14H16N6O/c1-10-11(2)21-14(16-10)9-15-8-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyZHNJLYUUZUDRKV-UHFFFAOYSA-N
XLogP1.56
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
2-methyl-4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]benzonitrile
CID 167958343
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine (CID 106372826) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine is Cc1nc(CNCc2nnnn2-c2ccccc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine?
The InChIKey is ZHNJLYUUZUDRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10-11(2)21-14(16-10)9-15-8-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine has a molecular weight of 284.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine is sourced from PubChem (CID 106372826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).