2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole

C10H10N4O4 — CID 71863441

IUPAC2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1cnc(OCc2nnc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4/c1-6-3-8(14(15)16)10(11-4-6)17-5-9-13-12-7(2)18-9/h3-4H,5H2,1-2H3
InChIKeyKUHCPPWRTZCIKY-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole

2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 71863441) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
PubChem CID71863441
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1cnc(OCc2nnc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4/c1-6-3-8(14(15)16)10(11-4-6)17-5-9-13-12-7(2)18-9/h3-4H,5H2,1-2H3
InChIKeyKUHCPPWRTZCIKY-UHFFFAOYSA-N
XLogP1.57
TPSA104.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
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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Related Compounds

5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
2-[(2-chloro-5-nitrophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 79484247
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2,5-dimethyl-3-nitropyridine
CID 12626468
2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 71979560
2-chloro-5-methyl-3-nitropyridine
CID 139082293
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655539
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole (CID 71863441) is 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole is Cc1cnc(OCc2nnc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is KUHCPPWRTZCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-6-3-8(14(15)16)10(11-4-6)17-5-9-13-12-7(2)18-9/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole?
2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 250.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71863441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).