2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

C12H14N2O2S — CID 17470996

IUPAC2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S/c1-8(2)11(15)13-6-9-7-16-12(14-9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,15)
InChIKeyDCCPPNQMYIJKHN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide

2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide (PubChem CID 17470996) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
PubChem CID17470996
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S/c1-8(2)11(15)13-6-9-7-16-12(14-9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,15)
InChIKeyDCCPPNQMYIJKHN-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide (CID 17470996) is 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide is CC(C)C(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
The InChIKey is DCCPPNQMYIJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(2)11(15)13-6-9-7-16-12(14-9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide?
2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide has a molecular weight of 250.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 17470996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).