(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C14H16FN5O2 — CID 97387716

IUPAC(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncc(F)cn3)O2)n1
InChIInChI=1S/C14H16FN5O2/c1-8-18-13(22-19-8)12-3-2-10-11(21-12)4-5-20(10)14-16-6-9(15)7-17-14/h6-7,10-12H,2-5H2,1H3/t10-,11-,12+/m1/s1
InChIKeyYXTKJRMTUJXVNR-UTUOFQBUSA-N
MW305.31 g/mol
LogP1.81
Rot. Bonds2

About (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 97387716) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID97387716
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncc(F)cn3)O2)n1
InChIInChI=1S/C14H16FN5O2/c1-8-18-13(22-19-8)12-3-2-10-11(21-12)4-5-20(10)14-16-6-9(15)7-17-14/h6-7,10-12H,2-5H2,1H3/t10-,11-,12+/m1/s1
InChIKeyYXTKJRMTUJXVNR-UTUOFQBUSA-N
XLogP1.81
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387909
[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97408219
(2R,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366496
(2S,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97366707
(3aR,6R,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387347
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97388019
[(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97411363
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811824
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133140678
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364780
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380062
(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380220

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 97387716) is (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncc(F)cn3)O2)n1.
What is the InChIKey of (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is YXTKJRMTUJXVNR-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-8-18-13(22-19-8)12-3-2-10-11(21-12)4-5-20(10)14-16-6-9(15)7-17-14/h6-7,10-12H,2-5H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 305.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 97387716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).