2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole

C16H19N3O2 — CID 125138384

IUPAC2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
SMILESCOc1cccc([C@@H]2CCCN2c2nnc(C3CC3)o2)c1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-2-4-12(10-13)14-6-3-9-19(14)16-18-17-15(21-16)11-7-8-11/h2,4-5,10-11,14H,3,6-9H2,1H3/t14-/m0/s1
InChIKeyUIJNCWPSESVSCU-AWEZNQCLSA-N
MW285.35 g/mol
LogP3.30
Rot. Bonds4

About 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole (PubChem CID 125138384) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
PubChem CID125138384
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
SMILESCOc1cccc([C@@H]2CCCN2c2nnc(C3CC3)o2)c1
InChIInChI=1S/C16H19N3O2/c1-20-13-5-2-4-12(10-13)14-6-3-9-19(14)16-18-17-15(21-16)11-7-8-11/h2,4-5,10-11,14H,3,6-9H2,1H3/t14-/m0/s1
InChIKeyUIJNCWPSESVSCU-AWEZNQCLSA-N
XLogP3.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133333528
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95715803
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole (CID 125138384) is 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole is COc1cccc([C@@H]2CCCN2c2nnc(C3CC3)o2)c1.
What is the InChIKey of 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is UIJNCWPSESVSCU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-13-5-2-4-12(10-13)14-6-3-9-19(14)16-18-17-15(21-16)11-7-8-11/h2,4-5,10-11,14H,3,6-9H2,1H3/t14-/m0/s1.
What are the key properties of 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 125138384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).