[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C22H27N3O3 — CID 91920773

IUPAC[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1c1nc(CCOCC2CC2)no1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(22(11-12-22)17-5-2-1-3-6-17)25-13-4-7-18(25)20-23-19(24-28-20)10-14-27-15-16-8-9-16/h1-3,5-6,16,18H,4,7-15H2
InChIKeySAVMLOVCZFZCMG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.43
Rot. Bonds8

About [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 91920773) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID91920773
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1c1nc(CCOCC2CC2)no1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(22(11-12-22)17-5-2-1-3-6-17)25-13-4-7-18(25)20-23-19(24-28-20)10-14-27-15-16-8-9-16/h1-3,5-6,16,18H,4,7-15H2
InChIKeySAVMLOVCZFZCMG-UHFFFAOYSA-N
XLogP3.43
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 91909950
N-cyclohexyl-2-[3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 91920784
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
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
[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53206111
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91918871
tert-butyl (2S)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 166545251
(6-methyl-3-pyridinyl)-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920787
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 91920773) is [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCCC1c1nc(CCOCC2CC2)no1)C1(c2ccccc2)CC1.
What is the InChIKey of [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is SAVMLOVCZFZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(22(11-12-22)17-5-2-1-3-6-17)25-13-4-7-18(25)20-23-19(24-28-20)10-14-27-15-16-8-9-16/h1-3,5-6,16,18H,4,7-15H2.
What are the key properties of [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 381.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).