(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

C16H15FN4O2 — CID 129447312

IUPAC(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1noc2ncnc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)c12
InChIInChI=1S/C16H15FN4O2/c1-9-14-15(18-8-19-16(14)23-20-9)21-7-12(22)6-13(21)10-3-2-4-11(17)5-10/h2-5,8,12-13,22H,6-7H2,1H3/t12-,13-/m1/s1
InChIKeyGDYLXFFNIJQOBI-CHWSQXEVSA-N
MW314.32 g/mol
LogP2.38
Rot. Bonds2

About (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129447312) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129447312
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1noc2ncnc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)c12
InChIInChI=1S/C16H15FN4O2/c1-9-14-15(18-8-19-16(14)23-20-9)21-7-12(22)6-13(21)10-3-2-4-11(17)5-10/h2-5,8,12-13,22H,6-7H2,1H3/t12-,13-/m1/s1
InChIKeyGDYLXFFNIJQOBI-CHWSQXEVSA-N
XLogP2.38
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-(2,5-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129402157
(3S,5S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480535
(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129447470
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 129480601
5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 128972537
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 129447312) is (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is Cc1noc2ncnc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)c12.
What is the InChIKey of (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is GDYLXFFNIJQOBI-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-14-15(18-8-19-16(14)23-20-9)21-7-12(22)6-13(21)10-3-2-4-11(17)5-10/h2-5,8,12-13,22H,6-7H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 314.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129447312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).