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

C13H15N3O3 — CID 103971788

IUPAC2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(OCc2nc(C3CNCCO3)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-4-10(5-3-1)18-9-12-15-13(16-19-12)11-8-14-6-7-17-11/h1-5,11,14H,6-9H2
InChIKeyXBAWWAXHHLSRAC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.31
Rot. Bonds4

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

2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971788) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971788
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(OCc2nc(C3CNCCO3)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-4-10(5-3-1)18-9-12-15-13(16-19-12)11-8-14-6-7-17-11/h1-5,11,14H,6-9H2
InChIKeyXBAWWAXHHLSRAC-UHFFFAOYSA-N
XLogP1.31
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103972068
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971859
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971978
2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971991
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971788) is 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine is c1ccc(OCc2nc(C3CNCCO3)no2)cc1.
What is the InChIKey of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is XBAWWAXHHLSRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-4-10(5-3-1)18-9-12-15-13(16-19-12)11-8-14-6-7-17-11/h1-5,11,14H,6-9H2.
What are the key properties of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 261.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).