2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate

C13H12N2O4 — CID 174495805

IUPAC2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate
SMILESCc1onc(CCOC=O)c1C(=O)c1cccnc1
InChIInChI=1S/C13H12N2O4/c1-9-12(11(15-19-9)4-6-18-8-16)13(17)10-3-2-5-14-7-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyYNZDSDHCJOJQAW-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.32
Rot. Bonds6

About 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate

2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate (PubChem CID 174495805) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate.

Molecular Properties

Compound Name2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate
PubChem CID174495805
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate
SMILESCc1onc(CCOC=O)c1C(=O)c1cccnc1
InChIInChI=1S/C13H12N2O4/c1-9-12(11(15-19-9)4-6-18-8-16)13(17)10-3-2-5-14-7-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyYNZDSDHCJOJQAW-UHFFFAOYSA-N
XLogP1.32
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 177377248
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
CID 131854915
CID 131854915
2-oxoethyl pyridine-3-carboxylate
CID 54542225
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
CID 59170271
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate?
The IUPAC name of 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate (CID 174495805) is 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate.
What is the SMILES notation for 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate?
The canonical SMILES for 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate is Cc1onc(CCOC=O)c1C(=O)c1cccnc1.
What is the InChIKey of 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate?
The InChIKey is YNZDSDHCJOJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9-12(11(15-19-9)4-6-18-8-16)13(17)10-3-2-5-14-7-10/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate?
2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate has a molecular weight of 260.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]ethyl formate is sourced from PubChem (CID 174495805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).