3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline

C12H11N5O — CID 43662478

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESc1cc(NCc2ccn[nH]2)cc(-c2nnco2)c1
InChIInChI=1S/C12H11N5O/c1-2-9(12-17-15-8-18-12)6-10(3-1)13-7-11-4-5-14-16-11/h1-6,8,13H,7H2,(H,14,16)
InChIKeyIMBIIMCUHDXODL-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.07
Rot. Bonds4

About 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline

3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 43662478) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID43662478
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESc1cc(NCc2ccn[nH]2)cc(-c2nnco2)c1
InChIInChI=1S/C12H11N5O/c1-2-9(12-17-15-8-18-12)6-10(3-1)13-7-11-4-5-14-16-11/h1-6,8,13H,7H2,(H,14,16)
InChIKeyIMBIIMCUHDXODL-UHFFFAOYSA-N
XLogP2.07
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692428
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-[(4-chlorothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 79419872
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 114452239

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline (CID 43662478) is 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline is c1cc(NCc2ccn[nH]2)cc(-c2nnco2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is IMBIIMCUHDXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-9(12-17-15-8-18-12)6-10(3-1)13-7-11-4-5-14-16-11/h1-6,8,13H,7H2,(H,14,16).
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline?
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 241.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 43662478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).