1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone

C14H15FN2O3 — CID 112724022

IUPAC1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H15FN2O3/c1-8(2)14-16-13(20-17-14)7-19-12-5-4-10(15)6-11(12)9(3)18/h4-6,8H,7H2,1-3H3
InChIKeyWPEROOPNEWTQEL-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.11
Rot. Bonds5

About 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone

1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone (PubChem CID 112724022) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
PubChem CID112724022
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H15FN2O3/c1-8(2)14-16-13(20-17-14)7-19-12-5-4-10(15)6-11(12)9(3)18/h4-6,8H,7H2,1-3H3
InChIKeyWPEROOPNEWTQEL-UHFFFAOYSA-N
XLogP3.11
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone with MolForge

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Related Compounds

5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
1-[2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-5-fluorophenyl]ethanone
CID 112797296
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
5-[(2-fluoro-4-nitrophenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47214141
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
(1R)-1-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78933395
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 25480854
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone (CID 112724022) is 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone is CC(=O)c1cc(F)ccc1OCc1nc(C(C)C)no1.
What is the InChIKey of 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone?
The InChIKey is WPEROOPNEWTQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8(2)14-16-13(20-17-14)7-19-12-5-4-10(15)6-11(12)9(3)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone?
1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone has a molecular weight of 278.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 112724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).