N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide

C11H9N3O5 — CID 18587291

IUPACN-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccno1
InChIInChI=1S/C11H9N3O5/c1-18-10-6-7(14(16)17)2-3-8(10)13-11(15)9-4-5-12-19-9/h2-6H,1H3,(H,13,15)
InChIKeyMPFAARWFLBWALR-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.84
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide

N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 18587291) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide
PubChem CID18587291
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC NameN-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccno1
InChIInChI=1S/C11H9N3O5/c1-18-10-6-7(14(16)17)2-3-8(10)13-11(15)9-4-5-12-19-9/h2-6H,1H3,(H,13,15)
InChIKeyMPFAARWFLBWALR-UHFFFAOYSA-N
XLogP1.84
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.84
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

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
N-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2471358
3-Isoxazolecarboxamide, N-(2,5-dimethoxyphenyl)-5-methyl-
CID 3073019
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 8003046
3-methoxy-N-(2-(trifluoromethoxy)phenyl)isoxazole-5-carboxamide
CID 71802481
N-(2-methoxy-5-nitrophenyl)isoxazole-5-carboxamide
CID 18587290
N-(4-methoxy-3-(2-oxopiperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 45576321
N-(2-phenoxyphenyl)isoxazole-5-carboxamide
CID 18587289
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide
CID 10236881
N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 135350589
N-[4-(difluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 8003050
N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 32610016

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide (CID 18587291) is N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccno1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MPFAARWFLBWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5/c1-18-10-6-7(14(16)17)2-3-8(10)13-11(15)9-4-5-12-19-9/h2-6H,1H3,(H,13,15).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide?
N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 263.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).