1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one

C12H18N2O3 — CID 115084704

IUPAC1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(CCN2CCOCC2)n1
InChIInChI=1S/C12H18N2O3/c1-10(15)8-11-9-17-12(13-11)2-3-14-4-6-16-7-5-14/h9H,2-8H2,1H3
InChIKeyITHNNZXPBHBUNY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.68
Rot. Bonds5

About 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one

1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115084704) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one
PubChem CID115084704
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(CCN2CCOCC2)n1
InChIInChI=1S/C12H18N2O3/c1-10(15)8-11-9-17-12(13-11)2-3-14-4-6-16-7-5-14/h9H,2-8H2,1H3
InChIKeyITHNNZXPBHBUNY-UHFFFAOYSA-N
XLogP0.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-morpholin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 112713796
2-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carbaldehyde
CID 115084695
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083401
1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084712
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082322
4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 175901685
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084664
[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115080018
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one (CID 115084704) is 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one is CC(=O)Cc1coc(CCN2CCOCC2)n1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is ITHNNZXPBHBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-10(15)8-11-9-17-12(13-11)2-3-14-4-6-16-7-5-14/h9H,2-8H2,1H3.
What are the key properties of 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one?
1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115084704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).