methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate

C16H17NO5 — CID 101175737

IUPACmethyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(C(C)C3OCCO3)no2)cc1
InChIInChI=1S/C16H17NO5/c1-10(16-20-7-8-21-16)13-9-14(22-17-13)11-3-5-12(6-4-11)15(18)19-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyDWNOECMRJBVOCX-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.60
Rot. Bonds4

About methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate

methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate (PubChem CID 101175737) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate
PubChem CID101175737
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(C(C)C3OCCO3)no2)cc1
InChIInChI=1S/C16H17NO5/c1-10(16-20-7-8-21-16)13-9-14(22-17-13)11-3-5-12(6-4-11)15(18)19-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyDWNOECMRJBVOCX-UHFFFAOYSA-N
XLogP2.60
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate with MolForge

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Related Compounds

5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole
CID 101175738
methyl 4-acetylbenzoate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 159441639
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
tert-butyl formate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 174762997
methyl 4-(1,2-oxazol-5-yl)benzoate
CID 44541917
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate
CID 155632242
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 135334733
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate?
The IUPAC name of methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate (CID 101175737) is methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate?
The canonical SMILES for methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate is COC(=O)c1ccc(-c2cc(C(C)C3OCCO3)no2)cc1.
What is the InChIKey of methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate?
The InChIKey is DWNOECMRJBVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-10(16-20-7-8-21-16)13-9-14(22-17-13)11-3-5-12(6-4-11)15(18)19-2/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate?
methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate has a molecular weight of 303.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazol-5-yl]benzoate is sourced from PubChem (CID 101175737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).