5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C14H17N3O3 — CID 154735478

IUPAC5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCO[C@@H]1CN[C@@H](c2nc(COc3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O3/c1-18-11-7-12(15-8-11)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyTXKITBRUROEAID-NWDGAFQWSA-N
MW275.31 g/mol
LogP1.70
Rot. Bonds5

About 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 154735478) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID154735478
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCO[C@@H]1CN[C@@H](c2nc(COc3ccccc3)no2)C1
InChIInChI=1S/C14H17N3O3/c1-18-11-7-12(15-8-11)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyTXKITBRUROEAID-NWDGAFQWSA-N
XLogP1.70
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxypyrrolidin-2-yl)-3-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 65142036
4-[[5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43101745
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
3-[(2-fluorophenyl)sulfanylmethyl]-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467055
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
CID 103467005
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103473020
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 43519282
5-(4-methoxypyrrolidin-2-yl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134664
5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 63080887
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-(4-methoxypyrrolidin-2-yl)-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 65130222

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 154735478) is 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is CO[C@@H]1CN[C@@H](c2nc(COc3ccccc3)no2)C1.
What is the InChIKey of 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is TXKITBRUROEAID-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-7-12(15-8-11)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 275.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154735478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).