methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

C10H9NO3S — CID 134997788

IUPACmethyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C10H9NO3S/c1-6-8(10(12)13-2)11-9(14-6)7-4-3-5-15-7/h3-5H,1-2H3
InChIKeyOQRVHMKMEGOTQZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.50
Rot. Bonds2

About methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 134997788) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
PubChem CID134997788
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C10H9NO3S/c1-6-8(10(12)13-2)11-9(14-6)7-4-3-5-15-7/h3-5H,1-2H3
InChIKeyOQRVHMKMEGOTQZ-UHFFFAOYSA-N
XLogP2.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
N-cyclopropyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 9551328
N-butyl-2-{[(5-methyl-2-thien-2-yl-1,3-oxazol-4-yl)methyl]sulfinyl}acetamide
CID 5308527
Methyl 2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazole-4-carboxylate
CID 13583381
2-(5-Methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl)acetic acid
CID 16227840
5-Methyl-2-(thiophen-2-yl)oxazole-4-carbaldehyde
CID 28063458
4,5-Dimethyl-2-thien-2-yl-1,3-oxazole 3-oxide
CID 6602871
1-{[5-Methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-3-propoxypiperidine
CID 45211251
N-(1-cyanocyclobutyl)-N,5-dimethyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 51094656
5-Ethoxy-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 16227582
5-Methyl-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 20118829
4-Methyl-2-(thiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 65712442

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (CID 134997788) is methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is OQRVHMKMEGOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-8(10(12)13-2)11-9(14-6)7-4-3-5-15-7/h3-5H,1-2H3.
What are the key properties of methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 134997788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).