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

C10H11N5O4 — CID 4915852

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)12-10(16)7(2)14-5-8(4-11-14)15(17)18/h3-5,7H,1-2H3,(H,12,13,16)
InChIKeyPAHOHFSIPRBPQB-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.29
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4915852) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4915852
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)12-10(16)7(2)14-5-8(4-11-14)15(17)18/h3-5,7H,1-2H3,(H,12,13,16)
InChIKeyPAHOHFSIPRBPQB-UHFFFAOYSA-N
XLogP1.29
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.29
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)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide (CID 4915852) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide is Cc1cc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is PAHOHFSIPRBPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)12-10(16)7(2)14-5-8(4-11-14)15(17)18/h3-5,7H,1-2H3,(H,12,13,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 265.23 g/mol, XLogP of 1.29, 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)propanamide is sourced from PubChem (CID 4915852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).