(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane

C14H17N3O2S — CID 97079021

IUPAC(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESc1csc(-c2nnc(CN3CC[C@]4(CCOC4)C3)o2)c1
InChIInChI=1S/C14H17N3O2S/c1-2-11(20-7-1)13-16-15-12(19-13)8-17-5-3-14(9-17)4-6-18-10-14/h1-2,7H,3-6,8-10H2/t14-/m0/s1
InChIKeyXNFJTSVPUFBUMM-AWEZNQCLSA-N
MW291.38 g/mol
LogP2.41
Rot. Bonds3

About (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 97079021) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID97079021
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESc1csc(-c2nnc(CN3CC[C@]4(CCOC4)C3)o2)c1
InChIInChI=1S/C14H17N3O2S/c1-2-11(20-7-1)13-16-15-12(19-13)8-17-5-3-14(9-17)4-6-18-10-14/h1-2,7H,3-6,8-10H2/t14-/m0/s1
InChIKeyXNFJTSVPUFBUMM-AWEZNQCLSA-N
XLogP2.41
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane 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 (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane (CID 97079021) is (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane is c1csc(-c2nnc(CN3CC[C@]4(CCOC4)C3)o2)c1.
What is the InChIKey of (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is XNFJTSVPUFBUMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-11(20-7-1)13-16-15-12(19-13)8-17-5-3-14(9-17)4-6-18-10-14/h1-2,7H,3-6,8-10H2/t14-/m0/s1.
What are the key properties of (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 291.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97079021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).