(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol

C15H17FN2O2 — CID 129480762

IUPAC(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)no1
InChIInChI=1S/C15H17FN2O2/c1-10-5-13(17-20-10)8-18-9-14(19)7-15(18)11-3-2-4-12(16)6-11/h2-6,14-15,19H,7-9H2,1H3/t14-,15+/m0/s1
InChIKeyNRBUWLJAQJQETO-LSDHHAIUSA-N
MW276.31 g/mol
LogP2.43
Rot. Bonds3

About (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol

(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 129480762) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID129480762
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)no1
InChIInChI=1S/C15H17FN2O2/c1-10-5-13(17-20-10)8-18-9-14(19)7-15(18)11-3-2-4-12(16)6-11/h2-6,14-15,19H,7-9H2,1H3/t14-,15+/m0/s1
InChIKeyNRBUWLJAQJQETO-LSDHHAIUSA-N
XLogP2.43
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 129480806
(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 100711532
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129480618
5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 128975908
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747
(3R,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480964
(3R,5R)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447084
(3S,5R)-1-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480686
(3R,5S)-1-[(4-aminopyrimidin-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480505
(3S,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447463

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol (CID 129480762) is (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)no1.
What is the InChIKey of (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is NRBUWLJAQJQETO-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-5-13(17-20-10)8-18-9-14(19)7-15(18)11-3-2-4-12(16)6-11/h2-6,14-15,19H,7-9H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 276.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).