(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate

C22H21NO5 — CID 37142164

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H21NO5/c24-22(17-8-10-18(11-9-17)26-14-19-7-4-12-25-19)27-15-20-13-21(23-28-20)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2/t19-/m0/s1
InChIKeyADCPWIBMCZIATK-IBGZPJMESA-N
MW379.41 g/mol
LogP4.26
Rot. Bonds7

About (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate

(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate (PubChem CID 37142164) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
PubChem CID37142164
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H21NO5/c24-22(17-8-10-18(11-9-17)26-14-19-7-4-12-25-19)27-15-20-13-21(23-28-20)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2/t19-/m0/s1
InChIKeyADCPWIBMCZIATK-IBGZPJMESA-N
XLogP4.26
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 42915833
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 18091511
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46821610
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2626007
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate (CID 37142164) is (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate is O=C(OCc1cc(-c2ccccc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is ADCPWIBMCZIATK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21NO5/c24-22(17-8-10-18(11-9-17)26-14-19-7-4-12-25-19)27-15-20-13-21(23-28-20)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2/t19-/m0/s1.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate?
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 379.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 37142164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).