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

C13H16N2O2S — CID 94530936

IUPAC(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
SMILESC[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1
InChIInChI=1S/C13H16N2O2S/c1-10-8-15(4-5-16-10)9-11-7-12(17-14-11)13-3-2-6-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyIVFQEZDDUJAAEJ-JTQLQIEISA-N
MW264.35 g/mol
LogP2.62
Rot. Bonds3

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

(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine (PubChem CID 94530936) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
PubChem CID94530936
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
SMILESC[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1
InChIInChI=1S/C13H16N2O2S/c1-10-8-15(4-5-16-10)9-11-7-12(17-14-11)13-3-2-6-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyIVFQEZDDUJAAEJ-JTQLQIEISA-N
XLogP2.62
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921861
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 134055306
phenyl-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 8597017
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 115486360
[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102787710
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79611090
1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 17407840
N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine (CID 94530936) is (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine is C[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
The InChIKey is IVFQEZDDUJAAEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-8-15(4-5-16-10)9-11-7-12(17-14-11)13-3-2-6-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine?
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine has a molecular weight of 264.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine is sourced from PubChem (CID 94530936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).