2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C17H25N3OS — CID 97027423

IUPAC2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeySXSWLKUQIYJNSH-KBPBESRZSA-N
MW319.47 g/mol
LogP4.76
Rot. Bonds5

About 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 97027423) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID97027423
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeySXSWLKUQIYJNSH-KBPBESRZSA-N
XLogP4.76
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
2-thiophen-2-yl-5-[(1R)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9042773
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
2-[(1R)-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97089717
(2R)-N-cyclopropyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 51928787
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
(6R)-2,2,6-trimethyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95136868

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 97027423) is 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is SXSWLKUQIYJNSH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-3-6-14-7-4-10-20(11-9-14)13(2)16-18-19-17(21-16)15-8-5-12-22-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 319.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 97027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).