(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate

C15H12ClNO4 — CID 31662565

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H12ClNO4/c1-8-12(9(2)21-17-8)7-19-15(18)14-6-10-5-11(16)3-4-13(10)20-14/h3-6H,7H2,1-2H3
InChIKeyAFJCDRVKVOEBNB-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.05
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate (PubChem CID 31662565) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate
PubChem CID31662565
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H12ClNO4/c1-8-12(9(2)21-17-8)7-19-15(18)14-6-10-5-11(16)3-4-13(10)20-14/h3-6H,7H2,1-2H3
InChIKeyAFJCDRVKVOEBNB-UHFFFAOYSA-N
XLogP4.05
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125497
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477631
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chlorobenzoate
CID 2539610
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 32924617
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate (CID 31662565) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate is Cc1noc(C)c1COC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate?
The InChIKey is AFJCDRVKVOEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8-12(9(2)21-17-8)7-19-15(18)14-6-10-5-11(16)3-4-13(10)20-14/h3-6H,7H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 31662565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).