(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine

C18H25N3O3 — CID 124824367

IUPAC(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
SMILESCOc1ccc(-c2nnc([C@@H](C)N3C[C@H](C)OC(C)(C)C3)o2)cc1
InChIInChI=1S/C18H25N3O3/c1-12-10-21(11-18(3,4)24-12)13(2)16-19-20-17(23-16)14-6-8-15(22-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKLXOXXVCMUPBKP-QWHCGFSZSA-N
MW331.42 g/mol
LogP3.31
Rot. Bonds4

About (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine

(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine (PubChem CID 124824367) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
PubChem CID124824367
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
SMILESCOc1ccc(-c2nnc([C@@H](C)N3C[C@H](C)OC(C)(C)C3)o2)cc1
InChIInChI=1S/C18H25N3O3/c1-12-10-21(11-18(3,4)24-12)13(2)16-19-20-17(23-16)14-6-8-15(22-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKLXOXXVCMUPBKP-QWHCGFSZSA-N
XLogP3.31
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine with MolForge

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Related Compounds

(6R)-2,2,6-trimethyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95136868
2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 56810609
(3R)-1-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 100840644
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26613341
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 33024180
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8597865
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-[(1S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 8539713
2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8559669
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine?
The IUPAC name of (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine (CID 124824367) is (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine is COc1ccc(-c2nnc([C@@H](C)N3C[C@H](C)OC(C)(C)C3)o2)cc1.
What is the InChIKey of (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine?
The InChIKey is KLXOXXVCMUPBKP-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-10-21(11-18(3,4)24-12)13(2)16-19-20-17(23-16)14-6-8-15(22-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine?
(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine has a molecular weight of 331.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 124824367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).