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

C8H12N2O2S — CID 103761124

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(N)=O)oc1C
InChIInChI=1S/C8H12N2O2S/c1-5-6(2)12-8(10-5)13-4-3-7(9)11/h3-4H2,1-2H3,(H2,9,11)
InChIKeyWAFVHEVOTDKWQJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.26
Rot. Bonds4

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

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 103761124) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID103761124
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(N)=O)oc1C
InChIInChI=1S/C8H12N2O2S/c1-5-6(2)12-8(10-5)13-4-3-7(9)11/h3-4H2,1-2H3,(H2,9,11)
InChIKeyWAFVHEVOTDKWQJ-UHFFFAOYSA-N
XLogP1.26
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 56736123
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]acetic acid
CID 6485555
5-(Difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
CID 155231033
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
Ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetate
CID 106920893
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid
CID 106920939
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921037
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 106922177
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 106922204
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 106922322
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 106922549

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 103761124) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SCCC(N)=O)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is WAFVHEVOTDKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-6(2)12-8(10-5)13-4-3-7(9)11/h3-4H2,1-2H3,(H2,9,11).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 200.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 103761124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).