propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate

C22H21NO6 — CID 58345544

IUPACpropan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C)c(C(=O)c2ccno2)cc1OCc1ccccc1
InChIInChI=1S/C22H21NO6/c1-14(2)28-22(25)17-12-19(26-3)20(27-13-15-7-5-4-6-8-15)11-16(17)21(24)18-9-10-23-29-18/h4-12,14H,13H2,1-3H3
InChIKeyGVLVDUUZXBBBOE-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.06
Rot. Bonds8

About propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate

propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate (PubChem CID 58345544) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate
PubChem CID58345544
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Namepropan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C)c(C(=O)c2ccno2)cc1OCc1ccccc1
InChIInChI=1S/C22H21NO6/c1-14(2)28-22(25)17-12-19(26-3)20(27-13-15-7-5-4-6-8-15)11-16(17)21(24)18-9-10-23-29-18/h4-12,14H,13H2,1-3H3
InChIKeyGVLVDUUZXBBBOE-UHFFFAOYSA-N
XLogP4.06
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 2-(4-aminobenzoyl)-5-methoxy-4-phenylmethoxybenzoate
CID 89441745
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
ethyl 4-hydroxy-5-methoxy-2-(1,2-oxazole-5-carbonyl)benzoate
CID 58345538
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
CID 142496966
1-[4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-phenylmethoxyphenyl]ethanol;1-[4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-phenylmethoxyphenyl]ethanone
CID 159106148
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate?
The IUPAC name of propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate (CID 58345544) is propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate.
What is the SMILES notation for propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate?
The canonical SMILES for propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate is COc1cc(C(=O)OC(C)C)c(C(=O)c2ccno2)cc1OCc1ccccc1.
What is the InChIKey of propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate?
The InChIKey is GVLVDUUZXBBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-14(2)28-22(25)17-12-19(26-3)20(27-13-15-7-5-4-6-8-15)11-16(17)21(24)18-9-10-23-29-18/h4-12,14H,13H2,1-3H3.
What are the key properties of propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate?
propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate has a molecular weight of 395.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate is sourced from PubChem (CID 58345544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).