5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C17H19N3O3 — CID 126779977

IUPAC5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1noc(CC)c1Cc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C17H19N3O3/c1-4-14-13(15(5-2)22-19-14)10-16-18-17(20-23-16)11-7-6-8-12(9-11)21-3/h6-9H,4-5,10H2,1-3H3
InChIKeyGQEWTCFTHDYQGC-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.45
Rot. Bonds6

About 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 126779977) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID126779977
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1noc(CC)c1Cc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C17H19N3O3/c1-4-14-13(15(5-2)22-19-14)10-16-18-17(20-23-16)11-7-6-8-12(9-11)21-3/h6-9H,4-5,10H2,1-3H3
InChIKeyGQEWTCFTHDYQGC-UHFFFAOYSA-N
XLogP3.45
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 30029551
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650
2-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153646
3-(3-methoxyphenyl)-5-[[(R)-(4-methylphenyl)methylsulfinyl]methyl]-1,2,4-oxadiazole
CID 95330988
3-[(3-bromophenyl)methyl]-5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
CID 91644382
3-(3-methoxyphenyl)-5-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55988944

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 126779977) is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is CCc1noc(CC)c1Cc1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GQEWTCFTHDYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-14-13(15(5-2)22-19-14)10-16-18-17(20-23-16)11-7-6-8-12(9-11)21-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 313.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126779977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).