5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C14H15N5O — CID 72863266

IUPAC5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccccc2Cn2cccn2)o1
InChIInChI=1S/C14H15N5O/c1-11-17-18-14(20-11)15-9-12-5-2-3-6-13(12)10-19-8-4-7-16-19/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyCIXPXUUUBFMVJQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.23
Rot. Bonds5

About 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72863266) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72863266
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2ccccc2Cn2cccn2)o1
InChIInChI=1S/C14H15N5O/c1-11-17-18-14(20-11)15-9-12-5-2-3-6-13(12)10-19-8-4-7-16-19/h2-8H,9-10H2,1H3,(H,15,18)
InChIKeyCIXPXUUUBFMVJQ-UHFFFAOYSA-N
XLogP2.23
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36617158
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708
2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70788936
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 115464297
3-tert-butyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488896
6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417931
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 55464118
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
CID 51120771
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-[(2,5-dimethylfuran-3-yl)methyl]-1-ethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111580566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 72863266) is 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2ccccc2Cn2cccn2)o1.
What is the InChIKey of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CIXPXUUUBFMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-11-17-18-14(20-11)15-9-12-5-2-3-6-13(12)10-19-8-4-7-16-19/h2-8H,9-10H2,1H3,(H,15,18).
What are the key properties of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72863266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).