1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C21H24ClN3O2 — CID 120853362

IUPAC1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1ccccc1COc1ccccc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-15-8-2-3-9-16(15)14-25-18-11-5-4-10-17(18)19-23-20(24-26-19)21(22)12-6-7-13-21;/h2-5,8-11H,6-7,12-14,22H2,1H3;1H
InChIKeyDNBKCAHJVNXXIY-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.77
Rot. Bonds5

About 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853362) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853362
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1ccccc1COc1ccccc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-15-8-2-3-9-16(15)14-25-18-11-5-4-10-17(18)19-23-20(24-26-19)21(22)12-6-7-13-21;/h2-5,8-11H,6-7,12-14,22H2,1H3;1H
InChIKeyDNBKCAHJVNXXIY-UHFFFAOYSA-N
XLogP4.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858577
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852042
1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860186
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860111
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
1-[5-[2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851520
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120851079
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853362) is 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1ccccc1COc1ccccc1-c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is DNBKCAHJVNXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c1-15-8-2-3-9-16(15)14-25-18-11-5-4-10-17(18)19-23-20(24-26-19)21(22)12-6-7-13-21;/h2-5,8-11H,6-7,12-14,22H2,1H3;1H.
What are the key properties of 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).