[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C16H14F2N2O6 — CID 176989691

IUPAC[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1coc(COc2ccc3c(c2)OC(F)(F)O3)n1)N1CCOCC1
InChIInChI=1S/C16H14F2N2O6/c17-16(18)25-12-2-1-10(7-13(12)26-16)23-9-14-19-11(8-24-14)15(21)20-3-5-22-6-4-20/h1-2,7-8H,3-6,9H2
InChIKeyFXIQEIMXVJZHMJ-UHFFFAOYSA-N
MW368.29 g/mol
LogP2.05
Rot. Bonds4

About [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 176989691) has the molecular formula C16H14F2N2O6 and a molecular weight of 368.29 g/mol. Its IUPAC name is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID176989691
Molecular FormulaC16H14F2N2O6
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1coc(COc2ccc3c(c2)OC(F)(F)O3)n1)N1CCOCC1
InChIInChI=1S/C16H14F2N2O6/c17-16(18)25-12-2-1-10(7-13(12)26-16)23-9-14-19-11(8-24-14)15(21)20-3-5-22-6-4-20/h1-2,7-8H,3-6,9H2
InChIKeyFXIQEIMXVJZHMJ-UHFFFAOYSA-N
XLogP2.05
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56713168
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
1-[(1R)-1-(4-methylphenyl)-7-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 93337343
cyclopropyl-[1-(3-fluorophenyl)-7-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46059209
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 97146184
cyclopropyl-[(1S)-1-(4-methylphenyl)-7-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 93291963
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 95226335
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-phenylpiperidin-1-yl)methanone
CID 45204572
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
cyclopentyl-[(1R)-1-(4-methylphenyl)-7-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 93291966
[2-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 42834872

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 176989691) is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is O=C(c1coc(COc2ccc3c(c2)OC(F)(F)O3)n1)N1CCOCC1.
What is the InChIKey of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FXIQEIMXVJZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O6/c17-16(18)25-12-2-1-10(7-13(12)26-16)23-9-14-19-11(8-24-14)15(21)20-3-5-22-6-4-20/h1-2,7-8H,3-6,9H2.
What are the key properties of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 368.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 176989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).