N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C13H12N4O3S2 — CID 71915302

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)no1
InChIInChI=1S/C13H12N4O3S2/c1-8-5-10(17-20-8)14-11(18)7-22-13-16-15-12(19-13)6-9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,14,17,18)
InChIKeyNCAKSMUGRIENMM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.75
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 71915302) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID71915302
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)no1
InChIInChI=1S/C13H12N4O3S2/c1-8-5-10(17-20-8)14-11(18)7-22-13-16-15-12(19-13)6-9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,14,17,18)
InChIKeyNCAKSMUGRIENMM-UHFFFAOYSA-N
XLogP2.75
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6456775
2,6-difluoro-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205306
4-fluoro-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205274
2-(4-chlorophenoxy)-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 4585994
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 4673882
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2699865
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 43008563
N-(4-methylphenyl)-2-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 19060549

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 71915302) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is NCAKSMUGRIENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-8-5-10(17-20-8)14-11(18)7-22-13-16-15-12(19-13)6-9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,14,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 71915302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).