4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine

C19H19N3O3 — CID 855499

IUPAC4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1ccccc1-c1nnc(-c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-23-17-5-3-2-4-16(17)19-21-20-18(25-19)14-6-8-15(9-7-14)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3
InChIKeyGMWPCVYUMMCNBX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds4

About 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine

4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (PubChem CID 855499) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
PubChem CID855499
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILESCOc1ccccc1-c1nnc(-c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-23-17-5-3-2-4-16(17)19-21-20-18(25-19)14-6-8-15(9-7-14)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3
InChIKeyGMWPCVYUMMCNBX-UHFFFAOYSA-N
XLogP3.25
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine (CID 855499) is 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is COc1ccccc1-c1nnc(-c2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
The InChIKey is GMWPCVYUMMCNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-17-5-3-2-4-16(17)19-21-20-18(25-19)14-6-8-15(9-7-14)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3.
What are the key properties of 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine?
4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine has a molecular weight of 337.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 855499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).