2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole

C14H18N2O3 — CID 91508978

IUPAC2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCCOc1cc(CCc2nnc(C)o2)ccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-18-13-9-11(5-7-12(13)17-3)6-8-14-16-15-10(2)19-14/h5,7,9H,4,6,8H2,1-3H3
InChIKeyPKDHUNRFXCACEQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.57
Rot. Bonds6

About 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole

2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 91508978) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID91508978
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCCOc1cc(CCc2nnc(C)o2)ccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-18-13-9-11(5-7-12(13)17-3)6-8-14-16-15-10(2)19-14/h5,7,9H,4,6,8H2,1-3H3
InChIKeyPKDHUNRFXCACEQ-UHFFFAOYSA-N
XLogP2.57
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651537
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 60907255
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
1,2-diethoxy-4-propylbenzene
CID 3995471
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
4-(2-chlorobutyl)-2-ethoxy-1-methoxybenzene
CID 82161430
2-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8707879
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole (CID 91508978) is 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole is CCOc1cc(CCc2nnc(C)o2)ccc1OC.
What is the InChIKey of 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is PKDHUNRFXCACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-18-13-9-11(5-7-12(13)17-3)6-8-14-16-15-10(2)19-14/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole?
2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 91508978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).