2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole

C16H20ClN5O2 — CID 154767401

IUPAC2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc([C@]23CCC[C@H]2CN(c2nc(OC)ncc2Cl)C3)o1
InChIInChI=1S/C16H20ClN5O2/c1-3-12-20-21-14(24-12)16-6-4-5-10(16)8-22(9-16)13-11(17)7-18-15(19-13)23-2/h7,10H,3-6,8-9H2,1-2H3/t10-,16-/m0/s1
InChIKeyWSFWZTCUSXBDQN-QFYYESIMSA-N
MW349.82 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole

2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 154767401) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole
PubChem CID154767401
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc([C@]23CCC[C@H]2CN(c2nc(OC)ncc2Cl)C3)o1
InChIInChI=1S/C16H20ClN5O2/c1-3-12-20-21-14(24-12)16-6-4-5-10(16)8-22(9-16)13-11(17)7-18-15(19-13)23-2/h7,10H,3-6,8-9H2,1-2H3/t10-,16-/m0/s1
InChIKeyWSFWZTCUSXBDQN-QFYYESIMSA-N
XLogP2.64
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole (CID 154767401) is 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc([C@]23CCC[C@H]2CN(c2nc(OC)ncc2Cl)C3)o1.
What is the InChIKey of 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is WSFWZTCUSXBDQN-QFYYESIMSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-3-12-20-21-14(24-12)16-6-4-5-10(16)8-22(9-16)13-11(17)7-18-15(19-13)23-2/h7,10H,3-6,8-9H2,1-2H3/t10-,16-/m0/s1.
What are the key properties of 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole?
2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 349.82 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aR)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 154767401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).