4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide

C12H13N5O4 — CID 62237359

IUPAC4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
SMILESCc1cc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C12H13N5O4/c1-7-4-9(16-21-7)6-14-12(18)8-2-3-10(15-13)11(5-8)17(19)20/h2-5,15H,6,13H2,1H3,(H,14,18)
InChIKeyWNEJSKILRPNGFB-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.11
Rot. Bonds5

About 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide

4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide (PubChem CID 62237359) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
PubChem CID62237359
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
SMILESCc1cc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C12H13N5O4/c1-7-4-9(16-21-7)6-14-12(18)8-2-3-10(15-13)11(5-8)17(19)20/h2-5,15H,6,13H2,1H3,(H,14,18)
InChIKeyWNEJSKILRPNGFB-UHFFFAOYSA-N
XLogP1.11
TPSA136.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.11
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

4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
CID 106409218
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 115677738
4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62242235
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 82873539
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide (CID 62237359) is 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide is Cc1cc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1.
What is the InChIKey of 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide?
The InChIKey is WNEJSKILRPNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-7-4-9(16-21-7)6-14-12(18)8-2-3-10(15-13)11(5-8)17(19)20/h2-5,15H,6,13H2,1H3,(H,14,18).
What are the key properties of 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide?
4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide has a molecular weight of 291.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 62237359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).