propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate

C10H15NO3S — CID 103607414

IUPACpropan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
SMILESCc1nc(SCC(=O)OC(C)C)oc1C
InChIInChI=1S/C10H15NO3S/c1-6(2)13-9(12)5-15-10-11-7(3)8(4)14-10/h6H,5H2,1-4H3
InChIKeyCNOINGIJBJNKFC-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.34
Rot. Bonds4

About propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate

propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate (PubChem CID 103607414) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
PubChem CID103607414
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namepropan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
SMILESCc1nc(SCC(=O)OC(C)C)oc1C
InChIInChI=1S/C10H15NO3S/c1-6(2)13-9(12)5-15-10-11-7(3)8(4)14-10/h6H,5H2,1-4H3
InChIKeyCNOINGIJBJNKFC-UHFFFAOYSA-N
XLogP2.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate with MolForge

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Related Compounds

propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropan-1-amine
CID 106923898
propan-2-yl 2-pyrimidin-2-ylsulfanylacetate
CID 47095344
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
CID 106927874
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
CID 106928156
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 39922193
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
CID 106923624
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol
CID 106923627
2-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921044

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate (CID 103607414) is propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate is Cc1nc(SCC(=O)OC(C)C)oc1C.
What is the InChIKey of propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate?
The InChIKey is CNOINGIJBJNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6(2)13-9(12)5-15-10-11-7(3)8(4)14-10/h6H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate?
propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate has a molecular weight of 229.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 103607414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).