(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone

C15H19NO4 — CID 10333717

IUPAC(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCC1CC(C(=O)c2ccc(OC)cc2)=[N+]([O-])O1
InChIInChI=1S/C15H19NO4/c1-3-4-5-13-10-14(16(18)20-13)15(17)11-6-8-12(19-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3
InChIKeyUAVDTBFPKOQSRG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.72
Rot. Bonds6

About (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone

(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 10333717) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone
PubChem CID10333717
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCC1CC(C(=O)c2ccc(OC)cc2)=[N+]([O-])O1
InChIInChI=1S/C15H19NO4/c1-3-4-5-13-10-14(16(18)20-13)15(17)11-6-8-12(19-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3
InChIKeyUAVDTBFPKOQSRG-UHFFFAOYSA-N
XLogP2.72
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone (CID 10333717) is (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone is CCCCC1CC(C(=O)c2ccc(OC)cc2)=[N+]([O-])O1.
What is the InChIKey of (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is UAVDTBFPKOQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-4-5-13-10-14(16(18)20-13)15(17)11-6-8-12(19-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3.
What are the key properties of (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone?
(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10333717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).