4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

C16H21N3O4S — CID 656079

IUPAC4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESCOc1ccccc1OCc1nnc(SCCN2CCOCC2)o1
InChIInChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3
InChIKeyNOEWYNKFGHBGCD-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.08
Rot. Bonds8

About 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (PubChem CID 656079) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
PubChem CID656079
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESCOc1ccccc1OCc1nnc(SCCN2CCOCC2)o1
InChIInChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3
InChIKeyNOEWYNKFGHBGCD-UHFFFAOYSA-N
XLogP2.08
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (CID 656079) is 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1.
What is the InChIKey of 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The InChIKey is NOEWYNKFGHBGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3.
What are the key properties of 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine has a molecular weight of 351.43 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).