3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride

C8H14Cl2N2O2 — CID 170918364

IUPAC3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
SMILESCc1coc(C2COCCN2)n1.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-6-4-12-8(10-6)7-5-11-3-2-9-7;;/h4,7,9H,2-3,5H2,1H3;2*1H
InChIKeyXRPHDMFAZUKVJF-UHFFFAOYSA-N
MW241.12 g/mol
LogP1.49
Rot. Bonds1

About 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride

3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride (PubChem CID 170918364) has the molecular formula C8H14Cl2N2O2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
PubChem CID170918364
Molecular FormulaC8H14Cl2N2O2
Molecular Weight241.12 g/mol
Exact Mass240.04
IUPAC Name3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
SMILESCc1coc(C2COCCN2)n1.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-6-4-12-8(10-6)7-5-11-3-2-9-7;;/h4,7,9H,2-3,5H2,1H3;2*1H
InChIKeyXRPHDMFAZUKVJF-UHFFFAOYSA-N
XLogP1.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170915764
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CID 91663021
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 95826419
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 114876910
3-(2-methyl-4-pyridinyl)morpholine
CID 55282770
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
3-(2,6-dimethylphenyl)morpholine
CID 55298000
3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride?
The IUPAC name of 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride (CID 170918364) is 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride.
What is the SMILES notation for 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride?
The canonical SMILES for 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride is Cc1coc(C2COCCN2)n1.Cl.Cl.
What is the InChIKey of 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride?
The InChIKey is XRPHDMFAZUKVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2ClH/c1-6-4-12-8(10-6)7-5-11-3-2-9-7;;/h4,7,9H,2-3,5H2,1H3;2*1H.
What are the key properties of 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride?
3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride is sourced from PubChem (CID 170918364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).