1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone

C15H18N2O3 — CID 95981863

IUPAC1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone
SMILESCCCc1noc([C@H](C)Oc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C15H18N2O3/c1-4-5-14-16-15(20-17-14)11(3)19-13-8-6-12(7-9-13)10(2)18/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyZUOFZRKKBLNBFT-NSHDSACASA-N
MW274.32 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone

1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone (PubChem CID 95981863) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone
PubChem CID95981863
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone
SMILESCCCc1noc([C@H](C)Oc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C15H18N2O3/c1-4-5-14-16-15(20-17-14)11(3)19-13-8-6-12(7-9-13)10(2)18/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyZUOFZRKKBLNBFT-NSHDSACASA-N
XLogP3.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344414
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95306662
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-bromo-5-fluorobenzoate
CID 55557824
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate
CID 55557308
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 79020202
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone (CID 95981863) is 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone is CCCc1noc([C@H](C)Oc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone?
The InChIKey is ZUOFZRKKBLNBFT-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-5-14-16-15(20-17-14)11(3)19-13-8-6-12(7-9-13)10(2)18/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone?
1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 95981863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).