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

C17H14N2O3 — CID 18165734

IUPAC[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
SMILESCc1noc(COc2ccc(C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O3/c1-12-18-16(22-19-12)11-21-15-9-7-14(8-10-15)17(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyZEUFIHRSRSDGEP-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.19
Rot. Bonds5

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

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone (PubChem CID 18165734) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
PubChem CID18165734
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
SMILESCc1noc(COc2ccc(C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O3/c1-12-18-16(22-19-12)11-21-15-9-7-14(8-10-15)17(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyZEUFIHRSRSDGEP-UHFFFAOYSA-N
XLogP3.19
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone with MolForge

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Related Compounds

[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone (CID 18165734) is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone is Cc1noc(COc2ccc(C(=O)c3ccccc3)cc2)n1.
What is the InChIKey of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone?
The InChIKey is ZEUFIHRSRSDGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-18-16(22-19-12)11-21-15-9-7-14(8-10-15)17(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone?
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone has a molecular weight of 294.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 18165734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).