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

C14H16N6O — CID 43700407

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1c(C)noc1C
InChIInChI=1S/C14H16N6O/c1-9-4-5-12(20-8-16-18-19-20)6-14(9)15-7-13-10(2)17-21-11(13)3/h4-6,8,15H,7H2,1-3H3
InChIKeyNCHGCYCXJVOBSK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.19
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 43700407) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID43700407
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1c(C)noc1C
InChIInChI=1S/C14H16N6O/c1-9-4-5-12(20-8-16-18-19-20)6-14(9)15-7-13-10(2)17-21-11(13)3/h4-6,8,15H,7H2,1-3H3
InChIKeyNCHGCYCXJVOBSK-UHFFFAOYSA-N
XLogP2.19
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 47066552
2-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(tetrazol-1-yl)aniline
CID 47064018
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (CID 43700407) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is NCHGCYCXJVOBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-4-5-12(20-8-16-18-19-20)6-14(9)15-7-13-10(2)17-21-11(13)3/h4-6,8,15H,7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 284.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).