(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

C15H17FN2O2 — CID 129349175

IUPAC(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)on1
InChIInChI=1S/C15H17FN2O2/c1-10-6-14(20-17-10)9-18-8-13(19)7-15(18)11-2-4-12(16)5-3-11/h2-6,13,15,19H,7-9H2,1H3/t13-,15+/m0/s1
InChIKeyWNLDIKZSVUYSLP-DZGCQCFKSA-N
MW276.31 g/mol
LogP2.43
Rot. Bonds3

About (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 129349175) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID129349175
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)on1
InChIInChI=1S/C15H17FN2O2/c1-10-6-14(20-17-10)9-18-8-13(19)7-15(18)11-2-4-12(16)5-3-11/h2-6,13,15,19H,7-9H2,1H3/t13-,15+/m0/s1
InChIKeyWNLDIKZSVUYSLP-DZGCQCFKSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (CID 129349175) is (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is Cc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)on1.
What is the InChIKey of (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is WNLDIKZSVUYSLP-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-6-14(20-17-10)9-18-8-13(19)7-15(18)11-2-4-12(16)5-3-11/h2-6,13,15,19H,7-9H2,1H3/t13-,15+/m0/s1.
What are the key properties of (3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-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-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129349175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).