[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol

C17H23N3O2S — CID 126793231

IUPAC[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(CO)CC1
InChIInChI=1S/C17H23N3O2S/c1-20(10-17(11-21)6-7-17)9-15-18-19-16(22-15)14-8-12-4-2-3-5-13(12)23-14/h8,21H,2-7,9-11H2,1H3
InChIKeyUUJJIHCTQOGOCX-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.88
Rot. Bonds6

About [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol

[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol (PubChem CID 126793231) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol
PubChem CID126793231
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(CO)CC1
InChIInChI=1S/C17H23N3O2S/c1-20(10-17(11-21)6-7-17)9-15-18-19-16(22-15)14-8-12-4-2-3-5-13(12)23-14/h8,21H,2-7,9-11H2,1H3
InChIKeyUUJJIHCTQOGOCX-UHFFFAOYSA-N
XLogP2.88
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 71579574
(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 9110151
1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 17426173
N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 18103345
N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine
CID 18103365
N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine
CID 18103377
2-(5-Ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 24534439
4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 25467816
1-(4-fluorophenyl)-N-methyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 25499221
(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 31939482
(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 31939484
1-[[5-(5-Ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 38846407

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol (CID 126793231) is [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol is CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(CO)CC1.
What is the InChIKey of [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol?
The InChIKey is UUJJIHCTQOGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-20(10-17(11-21)6-7-17)9-15-18-19-16(22-15)14-8-12-4-2-3-5-13(12)23-14/h8,21H,2-7,9-11H2,1H3.
What are the key properties of [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol?
[1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol has a molecular weight of 333.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 126793231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).