[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol

C12H20N2O3 — CID 75452205

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol
SMILESCc1noc(C)c1CN1CCOCC1(C)CO
InChIInChI=1S/C12H20N2O3/c1-9-11(10(2)17-13-9)6-14-4-5-16-8-12(14,3)7-15/h15H,4-8H2,1-3H3
InChIKeySETGHXCNYMDQBI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.87
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol (PubChem CID 75452205) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol
PubChem CID75452205
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol
SMILESCc1noc(C)c1CN1CCOCC1(C)CO
InChIInChI=1S/C12H20N2O3/c1-9-11(10(2)17-13-9)6-14-4-5-16-8-12(14,3)7-15/h15H,4-8H2,1-3H3
InChIKeySETGHXCNYMDQBI-UHFFFAOYSA-N
XLogP0.87
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 93260440
(4aR,7aS)-6-(cyclopropylmethyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377461
(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(oxan-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510705
3,5-Dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 2241068
6-{[[(3,5-Dimethylisoxazol-4-yl)methyl](methyl)amino]methyl}-1,4-oxazepan-6-ol
CID 70724692
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-oxazepan-6-ol
CID 75536958
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707196
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 56687172
1-((3,5-Dimethylisoxazol-4-yl)methyl)piperidin-4-ol
CID 56770206
4-[(3,5-Dimethylisoxazol-4-yl)methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70720856

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol (CID 75452205) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol is Cc1noc(C)c1CN1CCOCC1(C)CO.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol?
The InChIKey is SETGHXCNYMDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-11(10(2)17-13-9)6-14-4-5-16-8-12(14,3)7-15/h15H,4-8H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol has a molecular weight of 240.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylmorpholin-3-yl]methanol is sourced from PubChem (CID 75452205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).