5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

C18H27N5O — CID 126811457

IUPAC5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnn(C)c1CN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1
InChIInChI=1S/C18H27N5O/c1-12(2)16-20-17(24-21-16)18-7-5-6-14(18)9-23(11-18)10-15-13(3)8-19-22(15)4/h8,12,14H,5-7,9-11H2,1-4H3/t14-,18-/m1/s1
InChIKeyRPSFXMHCGBYXPQ-RDTXWAMCSA-N
MW329.45 g/mol
LogP2.79
Rot. Bonds4

About 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 126811457) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID126811457
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cnn(C)c1CN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1
InChIInChI=1S/C18H27N5O/c1-12(2)16-20-17(24-21-16)18-7-5-6-14(18)9-23(11-18)10-15-13(3)8-19-22(15)4/h8,12,14H,5-7,9-11H2,1-4H3/t14-,18-/m1/s1
InChIKeyRPSFXMHCGBYXPQ-RDTXWAMCSA-N
XLogP2.79
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 126811457) is 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cnn(C)c1CN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1.
What is the InChIKey of 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RPSFXMHCGBYXPQ-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12(2)16-20-17(24-21-16)18-7-5-6-14(18)9-23(11-18)10-15-13(3)8-19-22(15)4/h8,12,14H,5-7,9-11H2,1-4H3/t14-,18-/m1/s1.
What are the key properties of 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 329.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-2-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 126811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).