5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide

C10H7ClN4O4 — CID 113218119

IUPAC5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
SMILESCc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C10H7ClN4O4/c1-5-13-14-10(19-5)12-9(16)7-4-6(11)2-3-8(7)15(17)18/h2-4H,1H3,(H,12,14,16)
InChIKeyGIXNFHHVLCPFDS-UHFFFAOYSA-N
MW282.64 g/mol
LogP2.19
Rot. Bonds3

About 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide

5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide (PubChem CID 113218119) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
PubChem CID113218119
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
SMILESCc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C10H7ClN4O4/c1-5-13-14-10(19-5)12-9(16)7-4-6(11)2-3-8(7)15(17)18/h2-4H,1H3,(H,12,14,16)
InChIKeyGIXNFHHVLCPFDS-UHFFFAOYSA-N
XLogP2.19
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
CID 61042649
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
5-chloro-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-nitrobenzamide
CID 43977179
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide (CID 113218119) is 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide is Cc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide?
The InChIKey is GIXNFHHVLCPFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c1-5-13-14-10(19-5)12-9(16)7-4-6(11)2-3-8(7)15(17)18/h2-4H,1H3,(H,12,14,16).
What are the key properties of 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide?
5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide has a molecular weight of 282.64 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 113218119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).