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

C10H9NO3S — CID 174548602

IUPAC[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate
SMILESCC(=O)Oc1ncoc1Cc1cccs1
InChIInChI=1S/C10H9NO3S/c1-7(12)14-10-9(13-6-11-10)5-8-3-2-4-15-8/h2-4,6H,5H2,1H3
InChIKeyDQNDANHRJQLPNT-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.25
Rot. Bonds3

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

[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate (PubChem CID 174548602) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate.

Molecular Properties

Compound Name[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate
PubChem CID174548602
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate
SMILESCC(=O)Oc1ncoc1Cc1cccs1
InChIInChI=1S/C10H9NO3S/c1-7(12)14-10-9(13-6-11-10)5-8-3-2-4-15-8/h2-4,6H,5H2,1H3
InChIKeyDQNDANHRJQLPNT-UHFFFAOYSA-N
XLogP2.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-yl acetate
CID 23617313
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
ethyl acetate;thiophen-2-ylmethanol
CID 160876049
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone
CID 13356121
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(4-thiophen-2-ylphenyl) acetate
CID 18387761
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502518
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543

Frequently Asked Questions

What is the IUPAC name of [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate?
The IUPAC name of [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate (CID 174548602) is [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate.
What is the SMILES notation for [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate?
The canonical SMILES for [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate is CC(=O)Oc1ncoc1Cc1cccs1.
What is the InChIKey of [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate?
The InChIKey is DQNDANHRJQLPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7(12)14-10-9(13-6-11-10)5-8-3-2-4-15-8/h2-4,6H,5H2,1H3.
What are the key properties of [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate?
[5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate has a molecular weight of 223.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl] acetate is sourced from PubChem (CID 174548602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).