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

C23H25N3O3 — CID 124566854

IUPAC4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc(C[C@H]3CCOc4ccccc43)n2)c1
InChIInChI=1S/C23H25N3O3/c1-2-7-21-20(6-1)18(8-11-28-21)15-22-24-23(25-29-22)19-5-3-4-17(14-19)16-26-9-12-27-13-10-26/h1-7,14,18H,8-13,15-16H2/t18-/m1/s1
InChIKeyWYMCTPRUKJYRBA-GOSISDBHSA-N
MW391.47 g/mol
LogP3.68
Rot. Bonds5

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

4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 124566854) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
PubChem CID124566854
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)cc(-c2noc(C[C@H]3CCOc4ccccc43)n2)c1
InChIInChI=1S/C23H25N3O3/c1-2-7-21-20(6-1)18(8-11-28-21)15-22-24-23(25-29-22)19-5-3-4-17(14-19)16-26-9-12-27-13-10-26/h1-7,14,18H,8-13,15-16H2/t18-/m1/s1
InChIKeyWYMCTPRUKJYRBA-GOSISDBHSA-N
XLogP3.68
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
5-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 127318357
5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 110170900
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852688
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 42623098

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 124566854) is 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is c1cc(CN2CCOCC2)cc(-c2noc(C[C@H]3CCOc4ccccc43)n2)c1.
What is the InChIKey of 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is WYMCTPRUKJYRBA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-7-21-20(6-1)18(8-11-28-21)15-22-24-23(25-29-22)19-5-3-4-17(14-19)16-26-9-12-27-13-10-26/h1-7,14,18H,8-13,15-16H2/t18-/m1/s1.
What are the key properties of 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 391.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 124566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).