3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole

C16H16N2O2 — CID 15528346

IUPAC3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole
SMILESCOc1ccc(C2N=C(c3ccccc3)ON2C)cc1
InChIInChI=1S/C16H16N2O2/c1-18-15(12-8-10-14(19-2)11-9-12)17-16(20-18)13-6-4-3-5-7-13/h3-11,15H,1-2H3
InChIKeyXZZMDYGLDPLLTO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.02
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole

3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole (PubChem CID 15528346) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole
PubChem CID15528346
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole
SMILESCOc1ccc(C2N=C(c3ccccc3)ON2C)cc1
InChIInChI=1S/C16H16N2O2/c1-18-15(12-8-10-14(19-2)11-9-12)17-16(20-18)13-6-4-3-5-7-13/h3-11,15H,1-2H3
InChIKeyXZZMDYGLDPLLTO-UHFFFAOYSA-N
XLogP3.02
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-hydroxy-2-(4-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 781273
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
CID 74947618
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
anisole;1,1'-biphenyl;naphthalene
CID 161250692
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
(2R,5S,6R)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 92838338
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 4169624
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene
CID 3485092
(11R)-11-(4-methoxyphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15,17,19-nonaene
CID 7154325

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole (CID 15528346) is 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole is COc1ccc(C2N=C(c3ccccc3)ON2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole?
The InChIKey is XZZMDYGLDPLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-15(12-8-10-14(19-2)11-9-12)17-16(20-18)13-6-4-3-5-7-13/h3-11,15H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole has a molecular weight of 268.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-3H-1,2,4-oxadiazole is sourced from PubChem (CID 15528346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).