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

C19H27N5O2 — CID 128969495

IUPAC1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)17-20-18(26-22-17)19-7-5-6-15(19)9-23(11-19)16(25)10-24-14(4)8-13(3)21-24/h8,12,15H,5-7,9-11H2,1-4H3/t15-,19-/m1/s1
InChIKeyWYHJDXQAMGRAOI-DNVCBOLYSA-N
MW357.46 g/mol
LogP2.59
Rot. Bonds4

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

1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 128969495) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID128969495
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)17-20-18(26-22-17)19-7-5-6-15(19)9-23(11-19)16(25)10-24-14(4)8-13(3)21-24/h8,12,15H,5-7,9-11H2,1-4H3/t15-,19-/m1/s1
InChIKeyWYHJDXQAMGRAOI-DNVCBOLYSA-N
XLogP2.59
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone
CID 91920825
(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 91923293
[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 164641326
(1,5-Dimethylpyrazol-3-yl)-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-azaspiro[4.4]nonan-2-yl]methanone
CID 124038262
1-[4-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-8-methyl-2,8-diazaspiro[4.5]dec-2-YL]-3-(3,5-dimethyl-1H-pyrazol-1-YL)-1-propanone
CID 87051809
3-(3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 87053071
[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 121543293
5-Cyclopentyl-3-{[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-YL]methyl}-1,2,4-oxadiazole
CID 124037997
1-(2-{3-[2-(Cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidin-1-YL)-2-(3,5-dimethyl-1H-pyrazol-1-YL)ethan-1-one
CID 124062960
3-[2-(Cyclopentylmethoxy)ethyl]-5-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 124063624
3-[2-(Cyclopentylmethoxy)ethyl]-5-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 124074170
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 128969495) is 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)n1.
What is the InChIKey of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is WYHJDXQAMGRAOI-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)17-20-18(26-22-17)19-7-5-6-15(19)9-23(11-19)16(25)10-24-14(4)8-13(3)21-24/h8,12,15H,5-7,9-11H2,1-4H3/t15-,19-/m1/s1.
What are the key properties of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 357.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 128969495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).