1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C18H14N2O4S — CID 75400665

IUPAC1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCC(OC(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2o1
InChIInChI=1S/C18H14N2O4S/c1-11(17-20-13-5-2-3-6-14(13)24-17)23-16(21)9-12-10-22-18(19-12)15-7-4-8-25-15/h2-8,10-11H,9H2,1H3
InChIKeyYRDDVINUJONLIU-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.39
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 75400665) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID75400665
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCC(OC(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2o1
InChIInChI=1S/C18H14N2O4S/c1-11(17-20-13-5-2-3-6-14(13)24-17)23-16(21)9-12-10-22-18(19-12)15-7-4-8-25-15/h2-8,10-11H,9H2,1H3
InChIKeyYRDDVINUJONLIU-UHFFFAOYSA-N
XLogP4.39
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
CID 7696095
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7697587
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 75400665) is 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is CC(OC(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is YRDDVINUJONLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-11(17-20-13-5-2-3-6-14(13)24-17)23-16(21)9-12-10-22-18(19-12)15-7-4-8-25-15/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 354.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)ethyl 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 75400665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).