5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole

C11H14N4O3 — CID 90010707

IUPAC5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole
SMILESCc1cnc(C(C)(C)n2cc([N+](=O)[O-])c(C)n2)o1
InChIInChI=1S/C11H14N4O3/c1-7-5-12-10(18-7)11(3,4)14-6-9(15(16)17)8(2)13-14/h5-6H,1-4H3
InChIKeyIHUSZKUMUSRASW-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.18
Rot. Bonds3

About 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole

5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole (PubChem CID 90010707) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole
PubChem CID90010707
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole
SMILESCc1cnc(C(C)(C)n2cc([N+](=O)[O-])c(C)n2)o1
InChIInChI=1S/C11H14N4O3/c1-7-5-12-10(18-7)11(3,4)14-6-9(15(16)17)8(2)13-14/h5-6H,1-4H3
InChIKeyIHUSZKUMUSRASW-UHFFFAOYSA-N
XLogP2.18
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole (CID 90010707) is 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole is Cc1cnc(C(C)(C)n2cc([N+](=O)[O-])c(C)n2)o1.
What is the InChIKey of 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole?
The InChIKey is IHUSZKUMUSRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-5-12-10(18-7)11(3,4)14-6-9(15(16)17)8(2)13-14/h5-6H,1-4H3.
What are the key properties of 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole?
5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole has a molecular weight of 250.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(3-methyl-4-nitropyrazol-1-yl)propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 90010707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).