N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide

C18H16N4O4 — CID 133282891

IUPACN-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O4/c1-19-18(23)13-7-8-15(16(9-13)22(24)25)20-11-14-10-17(26-21-14)12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,23)
InChIKeyBWAJJMPEJJZQDH-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide

N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide (PubChem CID 133282891) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide
PubChem CID133282891
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O4/c1-19-18(23)13-7-8-15(16(9-13)22(24)25)20-11-14-10-17(26-21-14)12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,23)
InChIKeyBWAJJMPEJJZQDH-UHFFFAOYSA-N
XLogP3.22
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
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

4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
2-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866508
N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-nitrobenzamide
CID 78970979
3-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866509
N-methyl-6-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 133343449
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
4-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2,1,3-benzothiadiazole-6-carboxamide
CID 167901360
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
CID 103718691
N-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-nitrobenzamide
CID 78929669
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-N-methyl-3-nitrobenzamide
CID 133342155
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-N-methyl-3-nitrobenzamide
CID 133385585

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide?
The IUPAC name of N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide (CID 133282891) is N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide?
The InChIKey is BWAJJMPEJJZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-19-18(23)13-7-8-15(16(9-13)22(24)25)20-11-14-10-17(26-21-14)12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,23).
What are the key properties of N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide?
N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide has a molecular weight of 352.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 133282891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).