N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide

C23H24F2N2O6 — CID 130176543

IUPACN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
SMILESCCOc1ccc(O)cc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1
InChIInChI=1S/C23H24F2N2O6/c1-4-30-18-8-6-16(28)10-17(18)21(29)26-11-15-12-31-22(27-15)14-5-7-19(33-23(24)25)20(9-14)32-13(2)3/h5-10,12-13,23,28H,4,11H2,1-3H3,(H,26,29)
InChIKeyBMNRFAUEVSPQKA-UHFFFAOYSA-N
MW462.45 g/mol
LogP4.76
Rot. Bonds10

About N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide

N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide (PubChem CID 130176543) has the molecular formula C23H24F2N2O6 and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
PubChem CID130176543
Molecular FormulaC23H24F2N2O6
Molecular Weight462.45 g/mol
Exact Mass462.16
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
SMILESCCOc1ccc(O)cc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1
InChIInChI=1S/C23H24F2N2O6/c1-4-30-18-8-6-16(28)10-17(18)21(29)26-11-15-12-31-22(27-15)14-5-7-19(33-23(24)25)20(9-14)32-13(2)3/h5-10,12-13,23,28H,4,11H2,1-3H3,(H,26,29)
InChIKeyBMNRFAUEVSPQKA-UHFFFAOYSA-N
XLogP4.76
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175553169
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
CID 122387469
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
CID 141337828
1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
N-[[5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-4-ethoxy-2-fluorobenzamide;hydrochloride
CID 175163922
5-(1-aminoethyl)-2-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 174983194
2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide
CID 175553183
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68982000

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide (CID 130176543) is N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide is CCOc1ccc(O)cc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide?
The InChIKey is BMNRFAUEVSPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O6/c1-4-30-18-8-6-16(28)10-17(18)21(29)26-11-15-12-31-22(27-15)14-5-7-19(33-23(24)25)20(9-14)32-13(2)3/h5-10,12-13,23,28H,4,11H2,1-3H3,(H,26,29).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide?
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide has a molecular weight of 462.45 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide is sourced from PubChem (CID 130176543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).