[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

C15H17F2N3O2 — CID 110202980

IUPAC[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1noc([C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@H]2CO)n1
InChIInChI=1S/C15H17F2N3O2/c1-9-18-15(22-19-9)14-7-20(6-11(14)8-21)5-10-2-12(16)4-13(17)3-10/h2-4,11,14,21H,5-8H2,1H3/t11-,14+/m0/s1
InChIKeyYOZZNPNAPJBXFG-SMDDNHRTSA-N
MW309.32 g/mol
LogP1.86
Rot. Bonds4

About [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol

[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 110202980) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
PubChem CID110202980
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESCc1noc([C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@H]2CO)n1
InChIInChI=1S/C15H17F2N3O2/c1-9-18-15(22-19-9)14-7-20(6-11(14)8-21)5-10-2-12(16)4-13(17)3-10/h2-4,11,14,21H,5-8H2,1H3/t11-,14+/m0/s1
InChIKeyYOZZNPNAPJBXFG-SMDDNHRTSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 110202984
3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 156611385
1,3-benzodioxol-5-yl-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110202926
[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110203009
1-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 110202971
(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 134702526
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
CID 99825863
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824
[1-[[(3R,4R)-1-[(3-fluoro-5-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 72878019
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole
CID 53015273

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol (CID 110202980) is [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol is Cc1noc([C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@H]2CO)n1.
What is the InChIKey of [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is YOZZNPNAPJBXFG-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9-18-15(22-19-9)14-7-20(6-11(14)8-21)5-10-2-12(16)4-13(17)3-10/h2-4,11,14,21H,5-8H2,1H3/t11-,14+/m0/s1.
What are the key properties of [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol?
[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 309.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 110202980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).