[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C22H27N3O4 — CID 91918871

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC3c3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-27-17-6-4-16(5-7-17)22(10-11-22)21(26)25-12-2-3-18(25)20-23-19(24-29-20)15-8-13-28-14-9-15/h4-7,15,18H,2-3,8-14H2,1H3
InChIKeyKEXZIEHUMJBMRO-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.37
Rot. Bonds5

About [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91918871) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91918871
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC3c3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-27-17-6-4-16(5-7-17)22(10-11-22)21(26)25-12-2-3-18(25)20-23-19(24-29-20)15-8-13-28-14-9-15/h4-7,15,18H,2-3,8-14H2,1H3
InChIKeyKEXZIEHUMJBMRO-UHFFFAOYSA-N
XLogP3.37
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53206111
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
[4-(4-methoxyphenyl)oxan-4-yl]-[(2S)-2-[2-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 129459217
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 91918857
[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91920773
(5-bromo-3-pyridinyl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91918869
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90564590
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
cyclobutyl-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813039
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91918871) is [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC3c3nc(C4CCOCC4)no3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KEXZIEHUMJBMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-17-6-4-16(5-7-17)22(10-11-22)21(26)25-12-2-3-18(25)20-23-19(24-29-20)15-8-13-28-14-9-15/h4-7,15,18H,2-3,8-14H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91918871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).