3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

C14H18N2O4 — CID 95770468

IUPAC3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N2O4/c1-4-18-10(2)14-15-13(20-16-14)9-19-12-7-5-11(17-3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXXDPDFAWUSUAHF-SNVBAGLBSA-N
MW278.31 g/mol
LogP2.75
Rot. Bonds7

About 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 95770468) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID95770468
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C14H18N2O4/c1-4-18-10(2)14-15-13(20-16-14)9-19-12-7-5-11(17-3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXXDPDFAWUSUAHF-SNVBAGLBSA-N
XLogP2.75
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanol
CID 97029342
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111513945
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 95770468) is 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is CCO[C@H](C)c1noc(COc2ccc(OC)cc2)n1.
What is the InChIKey of 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is XXDPDFAWUSUAHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-18-10(2)14-15-13(20-16-14)9-19-12-7-5-11(17-3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95770468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).