ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate

C18H17NO3S — CID 59384964

IUPACethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2C)oc1-c1cccs1
InChIInChI=1S/C18H17NO3S/c1-3-21-16(20)11-14-17(15-9-6-10-23-15)22-18(19-14)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3
InChIKeyRFQVDMXETALHCZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.48
Rot. Bonds5

About ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate

ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (PubChem CID 59384964) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
PubChem CID59384964
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Nameethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2C)oc1-c1cccs1
InChIInChI=1S/C18H17NO3S/c1-3-21-16(20)11-14-17(15-9-6-10-23-15)22-18(19-14)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3
InChIKeyRFQVDMXETALHCZ-UHFFFAOYSA-N
XLogP4.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384796
2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
CID 59384744
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (CID 59384964) is ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccccc2C)oc1-c1cccs1.
What is the InChIKey of ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is RFQVDMXETALHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-3-21-16(20)11-14-17(15-9-6-10-23-15)22-18(19-14)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 327.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).