3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride

C11H19ClN2O2 — CID 170915764

IUPAC3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride
SMILESCC(C)(C)c1coc(C2COCCN2)n1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-11(2,3)9-7-15-10(13-9)8-6-14-5-4-12-8;/h7-8,12H,4-6H2,1-3H3;1H
InChIKeyQZHNIUQQAIPDPJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.05
Rot. Bonds1

About 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride

3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride (PubChem CID 170915764) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride
PubChem CID170915764
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride
SMILESCC(C)(C)c1coc(C2COCCN2)n1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-11(2,3)9-7-15-10(13-9)8-6-14-5-4-12-8;/h7-8,12H,4-6H2,1-3H3;1H
InChIKeyQZHNIUQQAIPDPJ-UHFFFAOYSA-N
XLogP2.05
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
CID 170918364
2-(4-tert-butyl-1,3-oxazol-2-yl)morpholine
CID 105464187
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
CID 105464334
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647
2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192551
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502
(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
CID 96848893

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride?
The IUPAC name of 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride (CID 170915764) is 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride.
What is the SMILES notation for 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride?
The canonical SMILES for 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride is CC(C)(C)c1coc(C2COCCN2)n1.Cl.
What is the InChIKey of 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride?
The InChIKey is QZHNIUQQAIPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-11(2,3)9-7-15-10(13-9)8-6-14-5-4-12-8;/h7-8,12H,4-6H2,1-3H3;1H.
What are the key properties of 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride?
3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;hydrochloride is sourced from PubChem (CID 170915764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).