5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole

C17H27N3O2 — CID 138017448

IUPAC5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc([C@@]34CCCC[C@@H]3NCC4)n2)CCCC1
InChIInChI=1S/C17H27N3O2/c1-21-12-16(7-4-5-8-16)14-19-15(22-20-14)17-9-3-2-6-13(17)18-11-10-17/h13,18H,2-12H2,1H3/t13-,17+/m0/s1
InChIKeyUNPBPHTTWQMDCE-SUMWQHHRSA-N
MW305.42 g/mol
LogP2.70
Rot. Bonds4

About 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole

5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole (PubChem CID 138017448) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
PubChem CID138017448
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc([C@@]34CCCC[C@@H]3NCC4)n2)CCCC1
InChIInChI=1S/C17H27N3O2/c1-21-12-16(7-4-5-8-16)14-19-15(22-20-14)17-9-3-2-6-13(17)18-11-10-17/h13,18H,2-12H2,1H3/t13-,17+/m0/s1
InChIKeyUNPBPHTTWQMDCE-SUMWQHHRSA-N
XLogP2.70
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-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

Related Compounds

5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
CID 130655967
5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 138017434
8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one
CID 136588584
3-[[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 167867233
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120841526
5-[3-(methoxymethyl)pyrrolidin-3-yl]-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 167761753
5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742440
3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
CID 97345782
5-[1-(methoxymethyl)cyclopentyl]-2H-tetrazole
CID 126818421
2-[1-(4-methoxyphenyl)cyclopropyl]pyrrolidine
CID 83910096
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716

Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole (CID 138017448) is 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole is COCC1(c2noc([C@@]34CCCC[C@@H]3NCC4)n2)CCCC1.
What is the InChIKey of 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The InChIKey is UNPBPHTTWQMDCE-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-21-12-16(7-4-5-8-16)14-19-15(22-20-14)17-9-3-2-6-13(17)18-11-10-17/h13,18H,2-12H2,1H3/t13-,17+/m0/s1.
What are the key properties of 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole has a molecular weight of 305.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 138017448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).