3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide

C12H11N3O5 — CID 90573880

IUPAC3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)on1
InChIInChI=1S/C12H11N3O5/c1-7-3-4-8(15(17)18)5-9(7)13-12(16)10-6-11(19-2)14-20-10/h3-6H,1-2H3,(H,13,16)
InChIKeyRANARWUMJZXACL-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.15
Rot. Bonds4

About 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 90573880) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide
PubChem CID90573880
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)on1
InChIInChI=1S/C12H11N3O5/c1-7-3-4-8(15(17)18)5-9(7)13-12(16)10-6-11(19-2)14-20-10/h3-6H,1-2H3,(H,13,16)
InChIKeyRANARWUMJZXACL-UHFFFAOYSA-N
XLogP2.15
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.15
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-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594
5-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3283055
6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 122144447
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide (CID 90573880) is 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)on1.
What is the InChIKey of 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RANARWUMJZXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-7-3-4-8(15(17)18)5-9(7)13-12(16)10-6-11(19-2)14-20-10/h3-6H,1-2H3,(H,13,16).
What are the key properties of 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 277.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).