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

C13H17N3O2S — CID 95137666

IUPAC(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3cc(C)on3)CCO2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-13(14-9)12-7-16(3-4-17-12)6-11-5-10(2)18-15-11/h5,8,12H,3-4,6-7H2,1-2H3/t12-/m0/s1
InChIKeyDSTUCFCYFKPDCS-LBPRGKRZSA-N
MW279.37 g/mol
LogP2.32
Rot. Bonds3

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

(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 95137666) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID95137666
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3cc(C)on3)CCO2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-13(14-9)12-7-16(3-4-17-12)6-11-5-10(2)18-15-11/h5,8,12H,3-4,6-7H2,1-2H3/t12-/m0/s1
InChIKeyDSTUCFCYFKPDCS-LBPRGKRZSA-N
XLogP2.32
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(2R)-4-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 100667020
(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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(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-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137834
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 136516008

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 95137666) is (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc([C@@H]2CN(Cc3cc(C)on3)CCO2)n1.
What is the InChIKey of (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is DSTUCFCYFKPDCS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-8-19-13(14-9)12-7-16(3-4-17-12)6-11-5-10(2)18-15-11/h5,8,12H,3-4,6-7H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 279.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 95137666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).