1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone

C17H14N2O2 — CID 70010395

IUPAC1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C17H14N2O2/c1-11(20)15-5-3-4-6-16(15)13-7-9-14(10-8-13)17-18-12(2)19-21-17/h3-10H,1-2H3
InChIKeyREUQEANRSCQRQI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.91
Rot. Bonds3

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

1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone (PubChem CID 70010395) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone
PubChem CID70010395
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C17H14N2O2/c1-11(20)15-5-3-4-6-16(15)13-7-9-14(10-8-13)17-18-12(2)19-21-17/h3-10H,1-2H3
InChIKeyREUQEANRSCQRQI-UHFFFAOYSA-N
XLogP3.91
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
1-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 118361930
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone (CID 70010395) is 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone?
The InChIKey is REUQEANRSCQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)15-5-3-4-6-16(15)13-7-9-14(10-8-13)17-18-12(2)19-21-17/h3-10H,1-2H3.
What are the key properties of 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone?
1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone has a molecular weight of 278.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 70010395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).