3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one

C25H25F2NO6 — CID 159743912

IUPAC3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
SMILESO=C(CCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)c1ccccc1OCCO
InChIInChI=1S/C25H25F2NO6/c26-25(27)34-22-10-7-17(13-23(22)32-14-16-5-6-16)24-28-18(15-33-24)8-9-20(30)19-3-1-2-4-21(19)31-12-11-29/h1-4,7,10,13,15-16,25,29H,5-6,8-9,11-12,14H2
InChIKeyNCUOUPRYSRMABO-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.92
Rot. Bonds13

About 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one

3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one (PubChem CID 159743912) has the molecular formula C25H25F2NO6 and a molecular weight of 473.47 g/mol. Its IUPAC name is 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
PubChem CID159743912
Molecular FormulaC25H25F2NO6
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC Name3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
SMILESO=C(CCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)c1ccccc1OCCO
InChIInChI=1S/C25H25F2NO6/c26-25(27)34-22-10-7-17(13-23(22)32-14-16-5-6-16)24-28-18(15-33-24)8-9-20(30)19-3-1-2-4-21(19)31-12-11-29/h1-4,7,10,13,15-16,25,29H,5-6,8-9,11-12,14H2
InChIKeyNCUOUPRYSRMABO-UHFFFAOYSA-N
XLogP4.92
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 175913687
3-[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 142695769
3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran
CID 68983957
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl 5-carbamoylpyridine-2-carboxylate
CID 175553188
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
CID 141428306
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
CID 69124555
3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-one
CID 162553534
5-(aminomethyl)-N-benzyl-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 144949461
potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride
CID 160574927
potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;1-(2-ethoxyphenyl)-3-[2-[4-(1-fluoroethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]propan-1-one;isoindol-2-ide-1,3-dione;hydrochloride
CID 164949261

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one?
The IUPAC name of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one (CID 159743912) is 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one is O=C(CCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)c1ccccc1OCCO.
What is the InChIKey of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one?
The InChIKey is NCUOUPRYSRMABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO6/c26-25(27)34-22-10-7-17(13-23(22)32-14-16-5-6-16)24-28-18(15-33-24)8-9-20(30)19-3-1-2-4-21(19)31-12-11-29/h1-4,7,10,13,15-16,25,29H,5-6,8-9,11-12,14H2.
What are the key properties of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one?
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one has a molecular weight of 473.47 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one is sourced from PubChem (CID 159743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).