(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate

C11H10N2O4 — CID 71869279

IUPAC(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccon2)cn1
InChIInChI=1S/C11H10N2O4/c1-15-10-3-2-8(6-12-10)7-16-11(14)9-4-5-17-13-9/h2-6H,7H2,1H3
InChIKeyFVMDOAVZOGHZDS-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.44
Rot. Bonds4

About (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate

(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate (PubChem CID 71869279) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate
PubChem CID71869279
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccon2)cn1
InChIInChI=1S/C11H10N2O4/c1-15-10-3-2-8(6-12-10)7-16-11(14)9-4-5-17-13-9/h2-6H,7H2,1H3
InChIKeyFVMDOAVZOGHZDS-UHFFFAOYSA-N
XLogP1.44
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methoxy]propan-2-one
CID 129259580
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate
CID 55443929
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
(6-methoxy-3-pyridinyl)methyl 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylate
CID 75399557
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate?
The IUPAC name of (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate (CID 71869279) is (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate.
What is the SMILES notation for (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate?
The canonical SMILES for (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate is COc1ccc(COC(=O)c2ccon2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate?
The InChIKey is FVMDOAVZOGHZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-15-10-3-2-8(6-12-10)7-16-11(14)9-4-5-17-13-9/h2-6H,7H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate?
(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate is sourced from PubChem (CID 71869279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).