1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C17H27N3O2 — CID 136587944

IUPAC1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1
InChIInChI=1S/C17H27N3O2/c1-11(2)16-18-14(22-19-16)8-9-15(21)20-10-17(3,4)12-6-5-7-13(12)20/h11-13H,5-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyMLGACLDRUXRMKM-OLZOCXBDSA-N
MW305.42 g/mol
LogP3.16
Rot. Bonds4

About 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 136587944) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID136587944
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1
InChIInChI=1S/C17H27N3O2/c1-11(2)16-18-14(22-19-16)8-9-15(21)20-10-17(3,4)12-6-5-7-13(12)20/h11-13H,5-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyMLGACLDRUXRMKM-OLZOCXBDSA-N
XLogP3.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Related Compounds

3-[(2S)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681947
3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681946
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(2H-triazol-4-yl)propan-1-one
CID 164643072
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119623261
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94867360
2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210763
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196029
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39877535
N-cyclohexylsulfonyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75418435
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124981522
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511913

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 136587944) is 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC(C)c1noc(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1.
What is the InChIKey of 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is MLGACLDRUXRMKM-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)16-18-14(22-19-16)8-9-15(21)20-10-17(3,4)12-6-5-7-13(12)20/h11-13H,5-10H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 136587944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).