(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate

C17H14ClNO5S — CID 7681088

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2coc(-c3cccs3)n2)cc(Cl)c1OC
InChIInChI=1S/C17H14ClNO5S/c1-21-13-7-10(6-12(18)15(13)22-2)17(20)24-9-11-8-23-16(19-11)14-4-3-5-25-14/h3-8H,9H2,1-2H3
InChIKeyNKNGEIZKTANTAB-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.43
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate (PubChem CID 7681088) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
PubChem CID7681088
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2coc(-c3cccs3)n2)cc(Cl)c1OC
InChIInChI=1S/C17H14ClNO5S/c1-21-13-7-10(6-12(18)15(13)22-2)17(20)24-9-11-8-23-16(19-11)14-4-3-5-25-14/h3-8H,9H2,1-2H3
InChIKeyNKNGEIZKTANTAB-UHFFFAOYSA-N
XLogP4.43
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
1,3-benzothiazol-2-ylmethyl 3-chloro-4,5-dimethoxybenzoate
CID 7681010
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805849
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate (CID 7681088) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCc2coc(-c3cccs3)n2)cc(Cl)c1OC.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is NKNGEIZKTANTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c1-21-13-7-10(6-12(18)15(13)22-2)17(20)24-9-11-8-23-16(19-11)14-4-3-5-25-14/h3-8H,9H2,1-2H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 379.82 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 7681088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).