(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H16N2O5 — CID 127036065

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C18H16N2O5/c1-22-13-9-12(10-14(23-2)16(13)24-3)15(21)18-19-17(20-25-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyMRNWIOHDQWRWEC-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.99
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 127036065) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID127036065
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C18H16N2O5/c1-22-13-9-12(10-14(23-2)16(13)24-3)15(21)18-19-17(20-25-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyMRNWIOHDQWRWEC-UHFFFAOYSA-N
XLogP2.99
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
3-(4-methylphenyl)-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083479
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138
3-(3,4-dimethoxyphenyl)-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083952
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 91892579
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 127036065) is (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)no2)cc(OC)c1OC.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MRNWIOHDQWRWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-22-13-9-12(10-14(23-2)16(13)24-3)15(21)18-19-17(20-25-18)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 340.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 127036065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).