1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H21N5O3 — CID 120856501

IUPAC1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1ccc(-c2cc(-c3nc(C4(N)CCCC4)no3)[nH]n2)cc1OC
InChIInChI=1S/C18H21N5O3/c1-24-14-6-5-11(9-15(14)25-2)12-10-13(22-21-12)16-20-17(23-26-16)18(19)7-3-4-8-18/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,21,22)
InChIKeyHWBNLOWPONLALL-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.87
Rot. Bonds5

About 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120856501) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120856501
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1ccc(-c2cc(-c3nc(C4(N)CCCC4)no3)[nH]n2)cc1OC
InChIInChI=1S/C18H21N5O3/c1-24-14-6-5-11(9-15(14)25-2)12-10-13(22-21-12)16-20-17(23-26-16)18(19)7-3-4-8-18/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,21,22)
InChIKeyHWBNLOWPONLALL-UHFFFAOYSA-N
XLogP2.87
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856611
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenyl]imidazolidin-2-one;hydrochloride
CID 120852681
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351511
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide
CID 120853225
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120856501) is 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is COc1ccc(-c2cc(-c3nc(C4(N)CCCC4)no3)[nH]n2)cc1OC.
What is the InChIKey of 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is HWBNLOWPONLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-24-14-6-5-11(9-15(14)25-2)12-10-13(22-21-12)16-20-17(23-26-16)18(19)7-3-4-8-18/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,21,22).
What are the key properties of 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 355.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120856501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).