oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate

C18H19NO4 — CID 78888195

IUPACoxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCC1CCCCO1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H19NO4/c20-18(22-13-16-8-4-5-11-21-16)14-9-10-17(19-12-14)23-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2
InChIKeyGVYUKIXKGRYMEB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.60
Rot. Bonds5

About oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate

oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate (PubChem CID 78888195) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
PubChem CID78888195
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameoxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCC1CCCCO1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H19NO4/c20-18(22-13-16-8-4-5-11-21-16)14-9-10-17(19-12-14)23-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2
InChIKeyGVYUKIXKGRYMEB-UHFFFAOYSA-N
XLogP3.60
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate?
The IUPAC name of oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate (CID 78888195) is oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate is O=C(OCC1CCCCO1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate?
The InChIKey is GVYUKIXKGRYMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-18(22-13-16-8-4-5-11-21-16)14-9-10-17(19-12-14)23-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2.
What are the key properties of oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate?
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 78888195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).