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

C14H11N5O5S — CID 2219311

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1
InChIInChI=1S/C14H11N5O5S/c1-8-6-11(18-24-8)15-12(20)7-25-14-17-16-13(23-14)9-2-4-10(5-3-9)19(21)22/h2-6H,7H2,1H3,(H,15,18,20)
InChIKeyWRBNRGGGQOYZRB-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.67
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2219311) has the molecular formula C14H11N5O5S and a molecular weight of 361.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2219311
Molecular FormulaC14H11N5O5S
Molecular Weight361.34 g/mol
Exact Mass361.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1
InChIInChI=1S/C14H11N5O5S/c1-8-6-11(18-24-8)15-12(20)7-25-14-17-16-13(23-14)9-2-4-10(5-3-9)19(21)22/h2-6H,7H2,1H3,(H,15,18,20)
InChIKeyWRBNRGGGQOYZRB-UHFFFAOYSA-N
XLogP2.67
TPSA137.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2219311) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WRBNRGGGQOYZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O5S/c1-8-6-11(18-24-8)15-12(20)7-25-14-17-16-13(23-14)9-2-4-10(5-3-9)19(21)22/h2-6H,7H2,1H3,(H,15,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 361.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).