3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one

C20H26N2O4 — CID 52521306

IUPAC3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
SMILESCOc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)OC(C)(C)C3)o2)cc1
InChIInChI=1S/C20H26N2O4/c1-14-12-22(13-20(2,3)26-14)19(23)10-9-18-21-11-17(25-18)15-5-7-16(24-4)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyHEOHYEPVQFYFQE-AWEZNQCLSA-N
MW358.44 g/mol
LogP3.31
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (PubChem CID 52521306) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
PubChem CID52521306
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
SMILESCOc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)OC(C)(C)C3)o2)cc1
InChIInChI=1S/C20H26N2O4/c1-14-12-22(13-20(2,3)26-14)19(23)10-9-18-21-11-17(25-18)15-5-7-16(24-4)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyHEOHYEPVQFYFQE-AWEZNQCLSA-N
XLogP3.31
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
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N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide
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5-(4-Butoxy-phenyl)-oxazole
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1-(5-(4-Hydroxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
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1-(5-(4-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
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8-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methyl-2-oxooctanamide
CID 44349697
5-(4-Methoxyphenyl)-1,3-oxazole
CID 3270828
5-(4-Methoxyphenyl)-2-phenyloxazole
CID 5325928
1-[4-[3-[4-(1,3-Oxazole-5-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
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5-[4-(3-Piperidin-1-ylpropoxy)phenyl]-1,3-oxazole
CID 56678519
1-[[6-[5-[4-(3-Methylbut-2-enoxy)phenyl]-1,3-oxazol-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one
CID 137646559

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (CID 52521306) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one is COc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)OC(C)(C)C3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The InChIKey is HEOHYEPVQFYFQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-12-22(13-20(2,3)26-14)19(23)10-9-18-21-11-17(25-18)15-5-7-16(24-4)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one has a molecular weight of 358.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 52521306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).