N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide

C9H9N5O4 — CID 1225672

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C9H9N5O4/c1-6-2-8(12-18-6)11-9(15)5-13-4-7(3-10-13)14(16)17/h2-4H,5H2,1H3,(H,11,12,15)
InChIKeyXPVFNOPBJMHLOQ-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.73
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 1225672) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID1225672
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C9H9N5O4/c1-6-2-8(12-18-6)11-9(15)5-13-4-7(3-10-13)14(16)17/h2-4H,5H2,1H3,(H,11,12,15)
InChIKeyXPVFNOPBJMHLOQ-UHFFFAOYSA-N
XLogP0.73
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide (CID 1225672) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is XPVFNOPBJMHLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-6-2-8(12-18-6)11-9(15)5-13-4-7(3-10-13)14(16)17/h2-4H,5H2,1H3,(H,11,12,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 251.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1225672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).