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

C14H12N4O3S — CID 2087808

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C14H12N4O3S/c1-9-7-11(18-21-9)15-12(19)8-22-14-17-16-13(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18,19)
InChIKeyAMKASRHLIAOBPU-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.76
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2087808) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2087808
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C14H12N4O3S/c1-9-7-11(18-21-9)15-12(19)8-22-14-17-16-13(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18,19)
InChIKeyAMKASRHLIAOBPU-UHFFFAOYSA-N
XLogP2.76
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2087808) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AMKASRHLIAOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-9-7-11(18-21-9)15-12(19)8-22-14-17-16-13(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 316.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2087808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).