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

C12H15N5O4 — CID 4993733

IUPAC4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)no1
InChIInChI=1S/C12H15N5O4/c1-8-6-11(17(19)20)14-16(8)5-3-4-12(18)13-10-7-9(2)21-15-10/h6-7H,3-5H2,1-2H3,(H,13,15,18)
InChIKeyUYBKZHFPKCDHGW-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.82
Rot. Bonds6

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

4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 4993733) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID4993733
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)no1
InChIInChI=1S/C12H15N5O4/c1-8-6-11(17(19)20)14-16(8)5-3-4-12(18)13-10-7-9(2)21-15-10/h6-7H,3-5H2,1-2H3,(H,13,15,18)
InChIKeyUYBKZHFPKCDHGW-UHFFFAOYSA-N
XLogP1.82
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.82
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 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 4993733) is 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)no1.
What is the InChIKey of 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is UYBKZHFPKCDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-8-6-11(17(19)20)14-16(8)5-3-4-12(18)13-10-7-9(2)21-15-10/h6-7H,3-5H2,1-2H3,(H,13,15,18).
What are the key properties of 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 293.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 4993733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).