N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C18H23ClN4O2 — CID 120855084

IUPACN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-11-10-14(11)15(23)20-13-6-4-12(5-7-13)16-21-17(22-24-16)18(19)8-2-3-9-18;/h4-7,11,14H,2-3,8-10,19H2,1H3,(H,20,23);1H
InChIKeyWNALMRFBKDUYFO-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 120855084) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID120855084
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-11-10-14(11)15(23)20-13-6-4-12(5-7-13)16-21-17(22-24-16)18(19)8-2-3-9-18;/h4-7,11,14H,2-3,8-10,19H2,1H3,(H,20,23);1H
InChIKeyWNALMRFBKDUYFO-UHFFFAOYSA-N
XLogP3.48
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
CID 120852189
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 120855084) is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC1CC1C(=O)Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl.
What is the InChIKey of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WNALMRFBKDUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-11-10-14(11)15(23)20-13-6-4-12(5-7-13)16-21-17(22-24-16)18(19)8-2-3-9-18;/h4-7,11,14H,2-3,8-10,19H2,1H3,(H,20,23);1H.
What are the key properties of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120855084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).