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

C17H18N4O2S — CID 95136032

IUPAC(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCc1csc([C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-11-24-17(18-12)14-9-21(7-8-22-14)10-15-19-16(20-23-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1
InChIKeyJCTJMRZWQPOQCZ-AWEZNQCLSA-N
MW342.42 g/mol
LogP3.08
Rot. Bonds4

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

(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 95136032) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID95136032
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCc1csc([C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-11-24-17(18-12)14-9-21(7-8-22-14)10-15-19-16(20-23-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1
InChIKeyJCTJMRZWQPOQCZ-AWEZNQCLSA-N
XLogP3.08
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 155914582
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 86772952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 95136032) is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is Cc1csc([C@@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is JCTJMRZWQPOQCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-11-24-17(18-12)14-9-21(7-8-22-14)10-15-19-16(20-23-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 342.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 95136032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).