ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

C14H17NO3S — CID 14091134

IUPACethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(C(C)C)oc1-c1ccsc1
InChIInChI=1S/C14H17NO3S/c1-4-17-12(16)7-11-13(10-5-6-19-8-10)18-14(15-11)9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCBIDLDUPGZPKQD-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (PubChem CID 14091134) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
PubChem CID14091134
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Nameethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(C(C)C)oc1-c1ccsc1
InChIInChI=1S/C14H17NO3S/c1-4-17-12(16)7-11-13(10-5-6-19-8-10)18-14(15-11)9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCBIDLDUPGZPKQD-UHFFFAOYSA-N
XLogP3.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
CID 59384579
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384964
2-[2-(4-methylsulfanylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 59384476
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
ethyl 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetate
CID 58775466
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate
CID 11021653
ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 59345263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (CID 14091134) is ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is CCOC(=O)Cc1nc(C(C)C)oc1-c1ccsc1.
What is the InChIKey of ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is CBIDLDUPGZPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-17-12(16)7-11-13(10-5-6-19-8-10)18-14(15-11)9(2)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 279.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 14091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).