1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C19H23N5O2 — CID 120854456

IUPAC1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C19H23N5O2/c1-2-12-25-15-13-24(14-8-4-3-5-9-14)22-16(15)17-21-18(23-26-17)19(20)10-6-7-11-19/h3-5,8-9,13H,2,6-7,10-12,20H2,1H3
InChIKeySSDPXOFAMKNCBP-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.44
Rot. Bonds6

About 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120854456) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120854456
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C19H23N5O2/c1-2-12-25-15-13-24(14-8-4-3-5-9-14)22-16(15)17-21-18(23-26-17)19(20)10-6-7-11-19/h3-5,8-9,13H,2,6-7,10-12,20H2,1H3
InChIKeySSDPXOFAMKNCBP-UHFFFAOYSA-N
XLogP3.44
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852559
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867648
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867649
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864388
1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855696
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957059
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one
CID 120857058

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120854456) is 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is SSDPXOFAMKNCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-12-25-15-13-24(14-8-4-3-5-9-14)22-16(15)17-21-18(23-26-17)19(20)10-6-7-11-19/h3-5,8-9,13H,2,6-7,10-12,20H2,1H3.
What are the key properties of 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 353.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120854456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).