N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

C24H24F2N2O5 — CID 134226963

IUPACN-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1cnc(-c2ccc(Oc3cccc(OC[C@@H]4CC4(F)F)c3)cc2)o1
InChIInChI=1S/C24H24F2N2O5/c1-15(28-16(2)29)13-31-22-12-27-23(33-22)17-6-8-19(9-7-17)32-21-5-3-4-20(10-21)30-14-18-11-24(18,25)26/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,28,29)/t15?,18-/m0/s1
InChIKeyHCOGKDFZFYZWPE-PKHIMPSTSA-N
MW458.46 g/mol
LogP5.07
Rot. Bonds10

About N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide

N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (PubChem CID 134226963) has the molecular formula C24H24F2N2O5 and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
PubChem CID134226963
Molecular FormulaC24H24F2N2O5
Molecular Weight458.46 g/mol
Exact Mass458.17
IUPAC NameN-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1cnc(-c2ccc(Oc3cccc(OC[C@@H]4CC4(F)F)c3)cc2)o1
InChIInChI=1S/C24H24F2N2O5/c1-15(28-16(2)29)13-31-22-12-27-23(33-22)17-6-8-19(9-7-17)32-21-5-3-4-20(10-21)30-14-18-11-24(18,25)26/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,28,29)/t15?,18-/m0/s1
InChIKeyHCOGKDFZFYZWPE-PKHIMPSTSA-N
XLogP5.07
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226781
[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]urea
CID 134226787
N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226866
N-[4-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]butan-2-yl]acetamide
CID 134226791
N-[(2R)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226826
5-Ethoxy-2-(4-methoxyphenyl)-1,3-oxazole
CID 2763518
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383603
2,2,2-trifluoro-N-[2-[4-(2-phenylethoxy)phenyl]-1,3-oxazol-5-yl]acetamide
CID 53721973
2,2,2-trifluoro-N-[2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-yl]acetamide
CID 54122011
N-[2-[4-(2-cyclohexylethoxy)phenyl]-1,3-oxazol-5-yl]-2,2,2-trifluoroacetamide
CID 54399405
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 69927711
2,2,2-trifluoro-N-[2-(4-phenacyloxyphenyl)-1,3-oxazol-5-yl]acetamide
CID 88476892

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide (CID 134226963) is N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is CC(=O)NC(C)COc1cnc(-c2ccc(Oc3cccc(OC[C@@H]4CC4(F)F)c3)cc2)o1.
What is the InChIKey of N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
The InChIKey is HCOGKDFZFYZWPE-PKHIMPSTSA-N. The full InChI is InChI=1S/C24H24F2N2O5/c1-15(28-16(2)29)13-31-22-12-27-23(33-22)17-6-8-19(9-7-17)32-21-5-3-4-20(10-21)30-14-18-11-24(18,25)26/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,28,29)/t15?,18-/m0/s1.
What are the key properties of N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide?
N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide has a molecular weight of 458.46 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[4-[3-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenoxy]phenyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 134226963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).