5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one

C12H12N2O3 — CID 135140857

IUPAC5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCC3)nc2)o[nH]1
InChIInChI=1S/C12H12N2O3/c15-11-6-10(17-14-11)8-4-5-12(13-7-8)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15)
InChIKeyLLOLZUJBFQDXDU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.96
Rot. Bonds3

About 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one

5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one (PubChem CID 135140857) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one
PubChem CID135140857
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(OC3CCC3)nc2)o[nH]1
InChIInChI=1S/C12H12N2O3/c15-11-6-10(17-14-11)8-4-5-12(13-7-8)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15)
InChIKeyLLOLZUJBFQDXDU-UHFFFAOYSA-N
XLogP1.96
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-[3-[3-(trifluoromethoxy)phenyl]cyclopentyl]oxy-3-pyridinyl]-1,2-oxazol-3-one
CID 135122218
7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
CID 142365403
5-[6-[2-methyl-2-(3-propan-2-yloxyphenyl)propoxy]-3-pyridinyl]-1,2-oxazol-3-one
CID 44552671
6-(6-cyclopropyloxy-3-pyridinyl)-1-methylpyrazolo[4,5-b]pyridine
CID 166288110
5-(4-fluorophenyl)-2-piperidin-4-yloxypyridine
CID 22646730
5-[5-[3-[4-(3,3-difluorocyclobutyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
CID 135138366
3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163156955
6-cyclopentyloxypyridine-3-sulfonic acid;hydrochloride
CID 174926588
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
2-cyclobutyloxy-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
CID 155583595
3,5-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)-1,2-oxazole
CID 166019964
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 167879532

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one (CID 135140857) is 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one is O=c1cc(-c2ccc(OC3CCC3)nc2)o[nH]1.
What is the InChIKey of 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one?
The InChIKey is LLOLZUJBFQDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-6-10(17-14-11)8-4-5-12(13-7-8)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15).
What are the key properties of 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one?
5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclobutyloxy-3-pyridinyl)-1,2-oxazol-3-one is sourced from PubChem (CID 135140857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).