ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate

C24H27NO4 — CID 59667385

IUPACethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H27NO4/c1-4-27-23(26)24(2,3)28-20-15-13-18(14-16-20)9-8-12-21-17-22(25-29-21)19-10-6-5-7-11-19/h5-7,10-11,13-17H,4,8-9,12H2,1-3H3
InChIKeyCTHWNRPBWVVTOK-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.24
Rot. Bonds9

About ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate

ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate (PubChem CID 59667385) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate
PubChem CID59667385
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Nameethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C24H27NO4/c1-4-27-23(26)24(2,3)28-20-15-13-18(14-16-20)9-8-12-21-17-22(25-29-21)19-10-6-5-7-11-19/h5-7,10-11,13-17H,4,8-9,12H2,1-3H3
InChIKeyCTHWNRPBWVVTOK-UHFFFAOYSA-N
XLogP5.24
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
CID 69223571
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
ethyl 2-[4-(6-hydrazinyl-6-oxohexyl)phenoxy]-2-methylpropanoate
CID 59015968
ethyl 2-[4-[5-(2-aminoethyl)-2-pyridinyl]phenoxy]-2-methylpropanoate
CID 58148701
ethyl 3-oxo-4-(3-phenyl-1,2-oxazol-5-yl)butanoate
CID 58032908
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
2-[4-[3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]propoxy]phenoxy]-2-methylbutanoic acid
CID 11502868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate (CID 59667385) is ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(CCCc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate?
The InChIKey is CTHWNRPBWVVTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-4-27-23(26)24(2,3)28-20-15-13-18(14-16-20)9-8-12-21-17-22(25-29-21)19-10-6-5-7-11-19/h5-7,10-11,13-17H,4,8-9,12H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate?
ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate has a molecular weight of 393.48 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate is sourced from PubChem (CID 59667385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).