6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one

C17H23N5O2 — CID 139014379

IUPAC6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)cn2)C3)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-19-16(24-20-15)17-6-4-5-12(17)8-22(9-17)13-7-14(23)21(3)10-18-13/h7,10-12H,4-6,8-9H2,1-3H3/t12-,17-/m0/s1
InChIKeyJZZJOYOAAJJXEL-SJCJKPOMSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds3

About 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one

6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one (PubChem CID 139014379) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one
PubChem CID139014379
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)cn2)C3)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-19-16(24-20-15)17-6-4-5-12(17)8-22(9-17)13-7-14(23)21(3)10-18-13/h7,10-12H,4-6,8-9H2,1-3H3/t12-,17-/m0/s1
InChIKeyJZZJOYOAAJJXEL-SJCJKPOMSA-N
XLogP1.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one (CID 139014379) is 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one is CC(C)c1noc([C@]23CCC[C@H]2CN(c2cc(=O)n(C)cn2)C3)n1.
What is the InChIKey of 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one?
The InChIKey is JZZJOYOAAJJXEL-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)15-19-16(24-20-15)17-6-4-5-12(17)8-22(9-17)13-7-14(23)21(3)10-18-13/h7,10-12H,4-6,8-9H2,1-3H3/t12-,17-/m0/s1.
What are the key properties of 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one?
6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 139014379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).