2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide

C18H18N4O3S — CID 70748676

IUPAC2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4O3S/c23-17(13-11-26-16(20-13)9-12-5-2-1-3-6-12)19-10-15-21-18(25-22-15)14-7-4-8-24-14/h1-3,5-6,11,14H,4,7-10H2,(H,19,23)
InChIKeyIXTLEEKGGIZNOL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.90
Rot. Bonds6

About 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 70748676) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID70748676
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4O3S/c23-17(13-11-26-16(20-13)9-12-5-2-1-3-6-12)19-10-15-21-18(25-22-15)14-7-4-8-24-14/h1-3,5-6,11,14H,4,7-10H2,(H,19,23)
InChIKeyIXTLEEKGGIZNOL-UHFFFAOYSA-N
XLogP2.90
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96571936
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131925451
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 70748676) is 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1noc(C2CCCO2)n1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IXTLEEKGGIZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-17(13-11-26-16(20-13)9-12-5-2-1-3-6-12)19-10-15-21-18(25-22-15)14-7-4-8-24-14/h1-3,5-6,11,14H,4,7-10H2,(H,19,23).
What are the key properties of 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70748676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).