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

C11H13N5O4 — CID 2237214

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C11H13N5O4/c1-8-5-10(14-20-8)13-11(17)3-2-4-15-7-9(6-12-15)16(18)19/h5-7H,2-4H2,1H3,(H,13,14,17)
InChIKeyLHQIYXAGWHTMBB-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.51
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide (PubChem CID 2237214) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide
PubChem CID2237214
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C11H13N5O4/c1-8-5-10(14-20-8)13-11(17)3-2-4-15-7-9(6-12-15)16(18)19/h5-7H,2-4H2,1H3,(H,13,14,17)
InChIKeyLHQIYXAGWHTMBB-UHFFFAOYSA-N
XLogP1.51
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.51
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)-4-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide (CID 2237214) is N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide is Cc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is LHQIYXAGWHTMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-8-5-10(14-20-8)13-11(17)3-2-4-15-7-9(6-12-15)16(18)19/h5-7H,2-4H2,1H3,(H,13,14,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 279.26 g/mol, XLogP of 1.51, 6 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)-4-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 2237214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).