methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate

C15H15NO5 — CID 21086154

IUPACmethyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)CCc1cnc(-c2cccc(C(=O)OC)c2)o1
InChIInChI=1S/C15H15NO5/c1-19-13(17)7-6-12-9-16-14(21-12)10-4-3-5-11(8-10)15(18)20-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyPSVUCZFFVOEIKP-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.23
Rot. Bonds5

About methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate

methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 21086154) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate
PubChem CID21086154
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)CCc1cnc(-c2cccc(C(=O)OC)c2)o1
InChIInChI=1S/C15H15NO5/c1-19-13(17)7-6-12-9-16-14(21-12)10-4-3-5-11(8-10)15(18)20-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyPSVUCZFFVOEIKP-UHFFFAOYSA-N
XLogP2.23
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 69487031
methyl 3-(4-methyl-1,3-benzoxazol-2-yl)benzoate
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6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
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methyl 3-[3-[4-(2-hydroxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232199
methyl 3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 177007637
methyl 3-pyridin-4-ylbenzoate
CID 5152687
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
CID 69489732
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate (CID 21086154) is methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate is COC(=O)CCc1cnc(-c2cccc(C(=O)OC)c2)o1.
What is the InChIKey of methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is PSVUCZFFVOEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-13(17)7-6-12-9-16-14(21-12)10-4-3-5-11(8-10)15(18)20-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate?
methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 289.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 21086154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).