3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline

C14H15N5O — CID 43525333

IUPAC3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1nn(C)c(C)c1-c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C14H15N5O/c1-8-12(9(2)19(3)17-8)14-16-13(18-20-14)10-5-4-6-11(15)7-10/h4-7H,15H2,1-3H3
InChIKeyVWKPOOBXJPWJJC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds2

About 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline

3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 43525333) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID43525333
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1nn(C)c(C)c1-c1nc(-c2cccc(N)c2)no1
InChIInChI=1S/C14H15N5O/c1-8-12(9(2)19(3)17-8)14-16-13(18-20-14)10-5-4-6-11(15)7-10/h4-7H,15H2,1-3H3
InChIKeyVWKPOOBXJPWJJC-UHFFFAOYSA-N
XLogP2.34
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
3-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 79755139
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166201264
3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 132606149
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline (CID 43525333) is 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline is Cc1nn(C)c(C)c1-c1nc(-c2cccc(N)c2)no1.
What is the InChIKey of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is VWKPOOBXJPWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-12(9(2)19(3)17-8)14-16-13(18-20-14)10-5-4-6-11(15)7-10/h4-7H,15H2,1-3H3.
What are the key properties of 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline?
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 269.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 43525333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).