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

C14H17N3O3 — CID 65419919

IUPAC4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(N)c(-c2nc(C3CC3C)no2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-7-4-8(7)13-16-14(20-17-13)9-5-11(18-2)12(19-3)6-10(9)15/h5-8H,4,15H2,1-3H3
InChIKeyWWEMGLNEDIXCLX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.46
Rot. Bonds4

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

4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 65419919) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID65419919
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1cc(N)c(-c2nc(C3CC3C)no2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-7-4-8(7)13-16-14(20-17-13)9-5-11(18-2)12(19-3)6-10(9)15/h5-8H,4,15H2,1-3H3
InChIKeyWWEMGLNEDIXCLX-UHFFFAOYSA-N
XLogP2.46
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.46
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-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
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethoxyaniline
CID 29279587
4,5-dimethoxy-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 82007554
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811688
ethyl 5-(2-amino-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 115970566
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63743445
4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 16767521
4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
CID 24695672
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65421017
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411856

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline (CID 65419919) is 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline is COc1cc(N)c(-c2nc(C3CC3C)no2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is WWEMGLNEDIXCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-4-8(7)13-16-14(20-17-13)9-5-11(18-2)12(19-3)6-10(9)15/h5-8H,4,15H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 275.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 65419919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).