(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine

C6H9N3O2 — CID 96848893

IUPAC(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
SMILESc1nc([C@H]2COCCN2)no1
InChIInChI=1S/C6H9N3O2/c1-2-10-3-5(7-1)6-8-4-11-9-6/h4-5,7H,1-3H2/t5-/m1/s1
InChIKeyUPVZMHVVZBKTBX-RXMQYKEDSA-N
MW155.16 g/mol
LogP-0.27
Rot. Bonds1

About (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine

(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 96848893) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
PubChem CID96848893
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
SMILESc1nc([C@H]2COCCN2)no1
InChIInChI=1S/C6H9N3O2/c1-2-10-3-5(7-1)6-8-4-11-9-6/h4-5,7H,1-3H2/t5-/m1/s1
InChIKeyUPVZMHVVZBKTBX-RXMQYKEDSA-N
XLogP-0.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
3-[(2S)-azepan-2-yl]-1,2,4-oxadiazole
CID 97184692
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-pyridin-2-ylmorpholine
CID 54247101
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687
3-[(3R)-morpholin-3-yl]pyridin-2-amine
CID 55275447
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039
3-(3,5-difluorophenyl)morpholine
CID 55271784
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
3-(5-chloro-1H-pyrazol-4-yl)morpholine
CID 84770590

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine (CID 96848893) is (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine is c1nc([C@H]2COCCN2)no1.
What is the InChIKey of (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is UPVZMHVVZBKTBX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-10-3-5(7-1)6-8-4-11-9-6/h4-5,7H,1-3H2/t5-/m1/s1.
What are the key properties of (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine?
(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 155.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 96848893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).