1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one

C15H17NO3 — CID 158824596

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one
SMILESCc1cnc(CC(=O)CCCOc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-12-11-16-15(19-12)10-13(17)6-5-9-18-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyIWHMAQGVFNTSMQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.95
Rot. Bonds7

About 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one

1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one (PubChem CID 158824596) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one
PubChem CID158824596
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one
SMILESCc1cnc(CC(=O)CCCOc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-12-11-16-15(19-12)10-13(17)6-5-9-18-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyIWHMAQGVFNTSMQ-UHFFFAOYSA-N
XLogP2.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-1,3-thiazol-2-yl)-5-phenoxypentan-2-one
CID 159309628
4-(5-methyl-1,3-oxazol-2-yl)-2-oxobutanoic acid
CID 82407405
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
5-methoxy-1-phenoxypentan-2-one
CID 115601921
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
CID 139898299
2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 82219979
acetic acid;butoxybenzene
CID 162338086
1-phenoxytridecan-3-one
CID 63411817
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
(4-phenoxybutanoylamino) acetate
CID 175438575

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one (CID 158824596) is 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one is Cc1cnc(CC(=O)CCCOc2ccccc2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one?
The InChIKey is IWHMAQGVFNTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-12-11-16-15(19-12)10-13(17)6-5-9-18-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one?
1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one is sourced from PubChem (CID 158824596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).