3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole

C14H15N3O3 — CID 71931990

IUPAC3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C14H15N3O3/c1-18-8-7-13-15-14(20-17-13)12-9-11(16-19-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeySFGSWONNRZVQEV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71931990) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole
PubChem CID71931990
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C14H15N3O3/c1-18-8-7-13-15-14(20-17-13)12-9-11(16-19-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeySFGSWONNRZVQEV-UHFFFAOYSA-N
XLogP2.12
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole (CID 71931990) is 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole is COCCc1noc(C2CC(c3ccccc3)=NO2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is SFGSWONNRZVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-18-8-7-13-15-14(20-17-13)12-9-11(16-19-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 273.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71931990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).