N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide

C20H14N4O4 — CID 1257559

IUPACN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N4O4/c1-12-11-13(20-23-18-17(28-20)7-4-10-21-18)8-9-15(12)22-19(25)14-5-2-3-6-16(14)24(26)27/h2-11H,1H3,(H,22,25)
InChIKeyACLFBOUOWXSAOG-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.36
Rot. Bonds4

About N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide

N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide (PubChem CID 1257559) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide
PubChem CID1257559
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC NameN-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide
SMILESCc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N4O4/c1-12-11-13(20-23-18-17(28-20)7-4-10-21-18)8-9-15(12)22-19(25)14-5-2-3-6-16(14)24(26)27/h2-11H,1H3,(H,22,25)
InChIKeyACLFBOUOWXSAOG-UHFFFAOYSA-N
XLogP4.36
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.36
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

2-fluoro-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2995615
4-methoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-nitrobenzamide
CID 3777798
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 3799118
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 2995648
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 3302134
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-nitrobenzamide
CID 1363778
N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
CID 22779835
2-methyl-3,5-dinitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 4184801
4-ethoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2997105
4-methyl-3-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1324396
2-methyl-3-nitro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2905162
N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1257591

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide (CID 1257559) is N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide is Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide?
The InChIKey is ACLFBOUOWXSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c1-12-11-13(20-23-18-17(28-20)7-4-10-21-18)8-9-15(12)22-19(25)14-5-2-3-6-16(14)24(26)27/h2-11H,1H3,(H,22,25).
What are the key properties of N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide?
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide has a molecular weight of 374.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 1257559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).