N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide

C12H13N5O4 — CID 65481378

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCc1noc(NC(=O)c2ccc([N+](=O)[O-])c(NN)c2)c1C
InChIInChI=1S/C12H13N5O4/c1-6-7(2)16-21-12(6)14-11(18)8-3-4-10(17(19)20)9(5-8)15-13/h3-5,15H,13H2,1-2H3,(H,14,18)
InChIKeyLJMPFEPYEKPUTN-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.74
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide (PubChem CID 65481378) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide
PubChem CID65481378
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCc1noc(NC(=O)c2ccc([N+](=O)[O-])c(NN)c2)c1C
InChIInChI=1S/C12H13N5O4/c1-6-7(2)16-21-12(6)14-11(18)8-3-4-10(17(19)20)9(5-8)15-13/h3-5,15H,13H2,1-2H3,(H,14,18)
InChIKeyLJMPFEPYEKPUTN-UHFFFAOYSA-N
XLogP1.74
TPSA136.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-(methylamino)benzamide
CID 65480384
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide
CID 84592048
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 62237359
3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 82873539
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63961052

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide (CID 65481378) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide is Cc1noc(NC(=O)c2ccc([N+](=O)[O-])c(NN)c2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide?
The InChIKey is LJMPFEPYEKPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-6-7(2)16-21-12(6)14-11(18)8-3-4-10(17(19)20)9(5-8)15-13/h3-5,15H,13H2,1-2H3,(H,14,18).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide has a molecular weight of 291.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide is sourced from PubChem (CID 65481378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).