4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide

C19H17N3O5 — CID 7965685

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H17N3O5/c1-12-18(13(2)27-21-12)11-26-17-8-6-14(7-9-17)19(23)20-15-4-3-5-16(10-15)22(24)25/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBYNAIWZWFRQBIM-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.03
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide (PubChem CID 7965685) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
PubChem CID7965685
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H17N3O5/c1-12-18(13(2)27-21-12)11-26-17-8-6-14(7-9-17)19(23)20-15-4-3-5-16(10-15)22(24)25/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBYNAIWZWFRQBIM-UHFFFAOYSA-N
XLogP4.03
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.03
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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitrobenzoyl]amino]benzoic acid
CID 178073726
methyl 3-[2-[3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]ethynyl]benzoate
CID 43049325
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 34548815
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728150
[1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 55327219
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
N-tert-butyl-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 46539748
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide (CID 7965685) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The InChIKey is BYNAIWZWFRQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-12-18(13(2)27-21-12)11-26-17-8-6-14(7-9-17)19(23)20-15-4-3-5-16(10-15)22(24)25/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide has a molecular weight of 367.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 7965685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).