2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine

C18H17ClN4O2 — CID 47054231

IUPAC2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESClc1ccc(C2CN(Cc3nc(-c4ccccn4)no3)CCO2)cc1
InChIInChI=1S/C18H17ClN4O2/c19-14-6-4-13(5-7-14)16-11-23(9-10-24-16)12-17-21-18(22-25-17)15-3-1-2-8-20-15/h1-8,16H,9-12H2
InChIKeyZSUXWBCNPILDMJ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine

2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 47054231) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID47054231
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESClc1ccc(C2CN(Cc3nc(-c4ccccn4)no3)CCO2)cc1
InChIInChI=1S/C18H17ClN4O2/c19-14-6-4-13(5-7-14)16-11-23(9-10-24-16)12-17-21-18(22-25-17)15-3-1-2-8-20-15/h1-8,16H,9-12H2
InChIKeyZSUXWBCNPILDMJ-UHFFFAOYSA-N
XLogP3.36
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]morpholine
CID 56871877
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 17452098
(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
CID 95553285
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 47053432
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95555865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 47054231) is 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is Clc1ccc(C2CN(Cc3nc(-c4ccccn4)no3)CCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is ZSUXWBCNPILDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-6-4-13(5-7-14)16-11-23(9-10-24-16)12-17-21-18(22-25-17)15-3-1-2-8-20-15/h1-8,16H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 356.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 47054231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).