4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine

C13H17N3O2 — CID 125474926

IUPAC4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1ccc([C@H]2N=C(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-4-11(5-3-1)13-14-12(18-15-13)10-16-6-8-17-9-7-16/h1-5,13,15H,6-10H2/t13-/m0/s1
InChIKeyGFTFUMCEUXQSBR-ZDUSSCGKSA-N
MW247.30 g/mol
LogP0.95
Rot. Bonds3

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

4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 125474926) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID125474926
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1ccc([C@H]2N=C(CN3CCOCC3)ON2)cc1
InChIInChI=1S/C13H17N3O2/c1-2-4-11(5-3-1)13-14-12(18-15-13)10-16-6-8-17-9-7-16/h1-5,13,15H,6-10H2/t13-/m0/s1
InChIKeyGFTFUMCEUXQSBR-ZDUSSCGKSA-N
XLogP0.95
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-phenyl-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
CID 129373306
4-[(1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)methyl]morpholine
CID 57477180
4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
CID 11581161
3-(morpholin-4-ylmethyl)-1-phenylpyrazol-5-amine
CID 82171782
CID 131887032
CID 131887032
4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
CID 44783870
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
dilithium;4-benzylmorpholine;sulfite
CID 160525639
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine
CID 20551411
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 125474926) is 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine is c1ccc([C@H]2N=C(CN3CCOCC3)ON2)cc1.
What is the InChIKey of 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is GFTFUMCEUXQSBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-4-11(5-3-1)13-14-12(18-15-13)10-16-6-8-17-9-7-16/h1-5,13,15H,6-10H2/t13-/m0/s1.
What are the key properties of 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine?
4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 247.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 125474926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).