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

C17H20N4O2S — CID 95279165

IUPAC(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1oc(-c2ccsc2)nc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H20N4O2S/c1-13-16(19-17(23-13)14-3-8-24-12-14)11-20-6-7-22-15(9-20)10-21-5-2-4-18-21/h2-5,8,12,15H,6-7,9-11H2,1H3/t15-/m1/s1
InChIKeyYALLRLUVMHUHDD-OAHLLOKOSA-N
MW344.44 g/mol
LogP2.81
Rot. Bonds5

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

(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95279165) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95279165
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1oc(-c2ccsc2)nc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H20N4O2S/c1-13-16(19-17(23-13)14-3-8-24-12-14)11-20-6-7-22-15(9-20)10-21-5-2-4-18-21/h2-5,8,12,15H,6-7,9-11H2,1H3/t15-/m1/s1
InChIKeyYALLRLUVMHUHDD-OAHLLOKOSA-N
XLogP2.81
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine with MolForge

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Related Compounds

(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95345825
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95341635
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
N-ethyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 42190219
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 86816468
4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 86796826
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95279165) is (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Cc1oc(-c2ccsc2)nc1CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is YALLRLUVMHUHDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-16(19-17(23-13)14-3-8-24-12-14)11-20-6-7-22-15(9-20)10-21-5-2-4-18-21/h2-5,8,12,15H,6-7,9-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 344.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95279165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).