4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C18H20N4O2S — CID 86879147

IUPAC4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(Cc3nnc(Cc4ccccc4)o3)CCO2)n1
InChIInChI=1S/C18H20N4O2S/c1-13-12-25-18(19-13)15-10-22(7-8-23-15)11-17-21-20-16(24-17)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeyQRRFIOHFMRKRHR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds5

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

4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 86879147) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID86879147
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(Cc3nnc(Cc4ccccc4)o3)CCO2)n1
InChIInChI=1S/C18H20N4O2S/c1-13-12-25-18(19-13)15-10-22(7-8-23-15)11-17-21-20-16(24-17)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeyQRRFIOHFMRKRHR-UHFFFAOYSA-N
XLogP3.00
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 86772952
(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137834
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618

Frequently Asked Questions

What is the IUPAC name of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 86879147) is 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(Cc3nnc(Cc4ccccc4)o3)CCO2)n1.
What is the InChIKey of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is QRRFIOHFMRKRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-12-25-18(19-13)15-10-22(7-8-23-15)11-17-21-20-16(24-17)9-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 356.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).