(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine

C13H17N3O2 — CID 67135313

IUPAC(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
SMILESCC1=CN(c2ccc([C@H]3CNCCO3)cc2)NO1
InChIInChI=1S/C13H17N3O2/c1-10-9-16(15-18-10)12-4-2-11(3-5-12)13-8-14-6-7-17-13/h2-5,9,13-15H,6-8H2,1H3/t13-/m1/s1
InChIKeyKRMJFRDWUVAMDJ-CYBMUJFWSA-N
MW247.30 g/mol
LogP1.47
Rot. Bonds2

About (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine

(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine (PubChem CID 67135313) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
PubChem CID67135313
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
SMILESCC1=CN(c2ccc([C@H]3CNCCO3)cc2)NO1
InChIInChI=1S/C13H17N3O2/c1-10-9-16(15-18-10)12-4-2-11(3-5-12)13-8-14-6-7-17-13/h2-5,9,13-15H,6-8H2,1H3/t13-/m1/s1
InChIKeyKRMJFRDWUVAMDJ-CYBMUJFWSA-N
XLogP1.47
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione
CID 117467423
azane;2-phenylmorpholine
CID 174664757
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine?
The IUPAC name of (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine (CID 67135313) is (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine is CC1=CN(c2ccc([C@H]3CNCCO3)cc2)NO1.
What is the InChIKey of (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine?
The InChIKey is KRMJFRDWUVAMDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-9-16(15-18-10)12-4-2-11(3-5-12)13-8-14-6-7-17-13/h2-5,9,13-15H,6-8H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine?
(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine has a molecular weight of 247.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine is sourced from PubChem (CID 67135313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).