5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C20H18N4O2S — CID 95123922

IUPAC5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2ncn(Cc3noc([C@@H]4CCCO4)n3)c2-c2ccsc2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-5-14(6-3-1)18-19(15-8-10-27-12-15)24(13-21-18)11-17-22-20(26-23-17)16-7-4-9-25-16/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2/t16-/m0/s1
InChIKeyKAQTXNUSGNITMQ-INIZCTEOSA-N
MW378.46 g/mol
LogP4.56
Rot. Bonds5

About 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 95123922) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID95123922
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2ncn(Cc3noc([C@@H]4CCCO4)n3)c2-c2ccsc2)cc1
InChIInChI=1S/C20H18N4O2S/c1-2-5-14(6-3-1)18-19(15-8-10-27-12-15)24(13-21-18)11-17-22-20(26-23-17)16-7-4-9-25-16/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2/t16-/m0/s1
InChIKeyKAQTXNUSGNITMQ-INIZCTEOSA-N
XLogP4.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
5-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188870
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869
5-cyclopropyl-3-[[5-(2-methyl-1,3-thiazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 50977488
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 97198798
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
CID 167887821
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
CID 72859561
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 124848975
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 95123922) is 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2ncn(Cc3noc([C@@H]4CCCO4)n3)c2-c2ccsc2)cc1.
What is the InChIKey of 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is KAQTXNUSGNITMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-5-14(6-3-1)18-19(15-8-10-27-12-15)24(13-21-18)11-17-22-20(26-23-17)16-7-4-9-25-16/h1-3,5-6,8,10,12-13,16H,4,7,9,11H2/t16-/m0/s1.
What are the key properties of 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 378.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95123922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).