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

C14H16ClN3O — CID 65401426

IUPAC3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCC(c2noc(-c3c(N)cccc3Cl)n2)C1
InChIInChI=1S/C14H16ClN3O/c1-8-5-6-9(7-8)13-17-14(19-18-13)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3
InChIKeySXHSJCIPOWGYEX-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.88
Rot. Bonds2

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

3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 65401426) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID65401426
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCC(c2noc(-c3c(N)cccc3Cl)n2)C1
InChIInChI=1S/C14H16ClN3O/c1-8-5-6-9(7-8)13-17-14(19-18-13)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3
InChIKeySXHSJCIPOWGYEX-UHFFFAOYSA-N
XLogP3.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050900
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 65414294
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188328
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
2-(3-butyl-1,2,4-oxadiazol-5-yl)-3-chloroaniline
CID 79405198
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (CID 65401426) is 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is CC1CCC(c2noc(-c3c(N)cccc3Cl)n2)C1.
What is the InChIKey of 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is SXHSJCIPOWGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-5-6-9(7-8)13-17-14(19-18-13)12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 277.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 65401426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).