prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C13H11NO3S — CID 75416781

IUPACprop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESC#CCOC(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C13H11NO3S/c1-3-6-16-12(15)8-10-9(2)17-13(14-10)11-5-4-7-18-11/h1,4-5,7H,6,8H2,2H3
InChIKeyGNQXFQJTVXPPDQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.43
Rot. Bonds4

About prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 75416781) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameprop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID75416781
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Nameprop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESC#CCOC(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C13H11NO3S/c1-3-6-16-12(15)8-10-9(2)17-13(14-10)11-5-4-7-18-11/h1,4-5,7H,6,8H2,2H3
InChIKeyGNQXFQJTVXPPDQ-UHFFFAOYSA-N
XLogP2.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55734605
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxyimino]butan-2-one
CID 136554626
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
(2-oxo-1,2-diphenylethyl) 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55515562
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55995068
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55811718
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55998672
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55998676

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 75416781) is prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is C#CCOC(=O)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is GNQXFQJTVXPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-3-6-16-12(15)8-10-9(2)17-13(14-10)11-5-4-7-18-11/h1,4-5,7H,6,8H2,2H3.
What are the key properties of prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 261.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 75416781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).