N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C12H12N4O3S — CID 736611

IUPACN-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N4O3S/c1-13-11(18)14-9(17)7-20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,17,18)
InChIKeySEZDEPOKHCLMPT-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.28
Rot. Bonds4

About N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 736611) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID736611
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N4O3S/c1-13-11(18)14-9(17)7-20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,17,18)
InChIKeySEZDEPOKHCLMPT-UHFFFAOYSA-N
XLogP1.28
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 736611) is N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SEZDEPOKHCLMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-13-11(18)14-9(17)7-20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 292.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 736611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).