4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C21H23N5O2 — CID 53162754

IUPAC4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc2c(c1)CCN(Cc1nc(-c3ccc(N4CCOCC4)nc3)no1)C2
InChIInChI=1S/C21H23N5O2/c1-2-4-18-14-25(8-7-16(18)3-1)15-20-23-21(24-28-20)17-5-6-19(22-13-17)26-9-11-27-12-10-26/h1-6,13H,7-12,14-15H2
InChIKeyCTXPZBWOFVRPJX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds4

About 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 53162754) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID53162754
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc2c(c1)CCN(Cc1nc(-c3ccc(N4CCOCC4)nc3)no1)C2
InChIInChI=1S/C21H23N5O2/c1-2-4-18-14-25(8-7-16(18)3-1)15-20-23-21(24-28-20)17-5-6-19(22-13-17)26-9-11-27-12-10-26/h1-6,13H,7-12,14-15H2
InChIKeyCTXPZBWOFVRPJX-UHFFFAOYSA-N
XLogP2.53
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162761
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131201
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
furan-2-yl-[4-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 53162637
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 95100376
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
4-[5-[5-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131199
4-[5-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131204
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 53162754) is 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is c1ccc2c(c1)CCN(Cc1nc(-c3ccc(N4CCOCC4)nc3)no1)C2.
What is the InChIKey of 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is CTXPZBWOFVRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-4-18-14-25(8-7-16(18)3-1)15-20-23-21(24-28-20)17-5-6-19(22-13-17)26-9-11-27-12-10-26/h1-6,13H,7-12,14-15H2.
What are the key properties of 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 377.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 53162754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).