5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine

C12H14N4O — CID 107811688

IUPAC5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
SMILESCC1CC1c1noc(-c2cc(N)cc(N)c2)n1
InChIInChI=1S/C12H14N4O/c1-6-2-10(6)11-15-12(17-16-11)7-3-8(13)5-9(14)4-7/h3-6,10H,2,13-14H2,1H3
InChIKeyMZXTZQRIZSHDNG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.02
Rot. Bonds2

About 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine

5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine (PubChem CID 107811688) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
PubChem CID107811688
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
SMILESCC1CC1c1noc(-c2cc(N)cc(N)c2)n1
InChIInChI=1S/C12H14N4O/c1-6-2-10(6)11-15-12(17-16-11)7-3-8(13)5-9(14)4-7/h3-6,10H,2,13-14H2,1H3
InChIKeyMZXTZQRIZSHDNG-UHFFFAOYSA-N
XLogP2.02
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811681
4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65419919
4-fluoro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65421875
4-chloro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65422097
5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 171795351
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65421017
3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525244
3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115997583
2-[4-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375015
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65415115
5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811747
2-amino-4-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872268

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine (CID 107811688) is 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine is CC1CC1c1noc(-c2cc(N)cc(N)c2)n1.
What is the InChIKey of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine?
The InChIKey is MZXTZQRIZSHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-6-2-10(6)11-15-12(17-16-11)7-3-8(13)5-9(14)4-7/h3-6,10H,2,13-14H2,1H3.
What are the key properties of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine?
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine has a molecular weight of 230.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 107811688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).