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

C13H14N4O4 — CID 103718691

IUPACN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCc2ncc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-8-6-16-12(21-8)7-15-10-4-3-9(13(18)14-2)5-11(10)17(19)20/h3-6,15H,7H2,1-2H3,(H,14,18)
InChIKeyYDSDFFMXDAXZPL-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.86
Rot. Bonds5

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

N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide (PubChem CID 103718691) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
PubChem CID103718691
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCc2ncc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-8-6-16-12(21-8)7-15-10-4-3-9(13(18)14-2)5-11(10)17(19)20/h3-6,15H,7H2,1-2H3,(H,14,18)
InChIKeyYDSDFFMXDAXZPL-UHFFFAOYSA-N
XLogP1.86
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.86
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-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-N-methyl-3-nitrobenzamide
CID 133342155
N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-nitrobenzamide
CID 78970979
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline
CID 103718668
4-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-5-nitrobenzoic acid
CID 106373099
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitrobenzamide
CID 71864161
4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzoic acid
CID 106372970
N-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-nitrobenzamide
CID 78929669
4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-N-methyl-3-nitrobenzamide
CID 133353126
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
N-methyl-3-nitro-4-(3,3,3-trifluoropropylamino)benzamide
CID 79034012
4-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 106373673

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide?
The IUPAC name of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide (CID 103718691) is N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide.
What is the SMILES notation for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide?
The canonical SMILES for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide is CNC(=O)c1ccc(NCc2ncc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide?
The InChIKey is YDSDFFMXDAXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8-6-16-12(21-8)7-15-10-4-3-9(13(18)14-2)5-11(10)17(19)20/h3-6,15H,7H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide?
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide is sourced from PubChem (CID 103718691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).