3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline

C18H15Cl2N3O2 — CID 134180155

IUPAC3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
SMILESCOc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-24-12-4-2-10(3-5-12)16-22-17(23-25-16)18(6-7-18)15-13(19)8-11(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3
InChIKeyQHRJJWRYUYNRJB-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.71
Rot. Bonds4

About 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline

3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline (PubChem CID 134180155) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
PubChem CID134180155
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
SMILESCOc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-24-12-4-2-10(3-5-12)16-22-17(23-25-16)18(6-7-18)15-13(19)8-11(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3
InChIKeyQHRJJWRYUYNRJB-UHFFFAOYSA-N
XLogP4.71
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-[1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
CID 134180144
3-chloro-4-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]-5-fluoroaniline
CID 134180120
3,5-dichloro-4-[1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline
CID 134176532
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
1-[3,5-dichloro-4-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-3-(5-ethylsulfonyl-2-pyridinyl)propan-2-one
CID 159530082

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The IUPAC name of 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline (CID 134180155) is 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline.
What is the SMILES notation for 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The canonical SMILES for 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline is COc1ccc(-c2nc(C3(c4c(Cl)cc(N)cc4Cl)CC3)no2)cc1.
What is the InChIKey of 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
The InChIKey is QHRJJWRYUYNRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-24-12-4-2-10(3-5-12)16-22-17(23-25-16)18(6-7-18)15-13(19)8-11(21)9-14(15)20/h2-5,8-9H,6-7,21H2,1H3.
What are the key properties of 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline?
3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline has a molecular weight of 376.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]aniline is sourced from PubChem (CID 134180155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).