[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol

C16H21N3O3 — CID 128966490

IUPAC[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)15-7-14(21-2)9-19(15)8-12-3-5-13(10-20)6-4-12/h3-6,14-15,20H,7-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyCRMPZALBSMRVRM-HUUCEWRRSA-N
MW303.36 g/mol
LogP1.83
Rot. Bonds5

About [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol

[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 128966490) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID128966490
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)15-7-14(21-2)9-19(15)8-12-3-5-13(10-20)6-4-12/h3-6,14-15,20H,7-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyCRMPZALBSMRVRM-HUUCEWRRSA-N
XLogP1.83
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129001016
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
5-[(2R,4R)-1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128967494
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
5-[(2R,4R)-4-methoxy-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473
5-[(2R,4S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005669
5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 167951118
N-benzyl-2-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128997406
(2S)-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 129336869

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol (CID 128966490) is [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol is CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is CRMPZALBSMRVRM-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)15-7-14(21-2)9-19(15)8-12-3-5-13(10-20)6-4-12/h3-6,14-15,20H,7-10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 303.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 128966490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).