[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

C22H27N5O3 — CID 91909950

IUPAC[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(CCOCC2CCCC2)no1
InChIInChI=1S/C22H27N5O3/c28-22(20-16-8-3-4-9-17(16)24-25-20)27-12-5-10-18(27)21-23-19(26-30-21)11-13-29-14-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H,24,25)
InChIKeyKEVQUEFBSTUCOS-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.67
Rot. Bonds7

About [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 91909950) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID91909950
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(CCOCC2CCCC2)no1
InChIInChI=1S/C22H27N5O3/c28-22(20-16-8-3-4-9-17(16)24-25-20)27-12-5-10-18(27)21-23-19(26-30-21)11-13-29-14-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H,24,25)
InChIKeyKEVQUEFBSTUCOS-UHFFFAOYSA-N
XLogP3.67
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91920773
N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 91920784
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124984508
1H-indazol-3-yl-[2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121349
2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 91909962

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (CID 91909950) is [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCC1c1nc(CCOCC2CCCC2)no1.
What is the InChIKey of [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is KEVQUEFBSTUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c28-22(20-16-8-3-4-9-17(16)24-25-20)27-12-5-10-18(27)21-23-19(26-30-21)11-13-29-14-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H,24,25).
What are the key properties of [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 409.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 91909950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).