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

C13H15N3O2 — CID 120833777

IUPAC(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)12-15-13(18-16-12)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1
InChIKeyIUIRVVAYSHGRFE-NSHDSACASA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

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

(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 120833777) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID120833777
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)12-15-13(18-16-12)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1
InChIKeyIUIRVVAYSHGRFE-NSHDSACASA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
CID 77152123
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838
(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 120833777) is (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is Cc1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1.
What is the InChIKey of (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is IUIRVVAYSHGRFE-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)12-15-13(18-16-12)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine?
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 245.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 120833777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).