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

C9H13NO3 — CID 164562691

IUPACethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)c(C)o1
InChIInChI=1S/C9H13NO3/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3
InChIKeyOVVWEOJEOZWWQI-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.40
Rot. Bonds3

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

ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate (PubChem CID 164562691) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
PubChem CID164562691
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)c(C)o1
InChIInChI=1S/C9H13NO3/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3
InChIKeyOVVWEOJEOZWWQI-UHFFFAOYSA-N
XLogP1.40
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 2-(4-carbamoylphenyl)acetate
CID 126807547
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
3-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]-methylamino]butanoic acid
CID 110836138
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
CID 58747624
ethyl 2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)acetate
CID 22759395
ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
CID 55212087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate (CID 164562691) is ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate is CCOC(=O)Cc1nc(C)c(C)o1.
What is the InChIKey of ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate?
The InChIKey is OVVWEOJEOZWWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3.
What are the key properties of ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate?
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate has a molecular weight of 183.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate is sourced from PubChem (CID 164562691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).