N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide

C12H14N4O2S — CID 2930135

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H14N4O2S/c1-3-9(19-12-13-5-4-6-14-12)11(17)15-10-7-8(2)18-16-10/h4-7,9H,3H2,1-2H3,(H,15,16,17)
InChIKeyLBVVISJLLWYVCI-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.28
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide (PubChem CID 2930135) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide
PubChem CID2930135
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H14N4O2S/c1-3-9(19-12-13-5-4-6-14-12)11(17)15-10-7-8(2)18-16-10/h4-7,9H,3H2,1-2H3,(H,15,16,17)
InChIKeyLBVVISJLLWYVCI-UHFFFAOYSA-N
XLogP2.28
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide (CID 2930135) is N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide is CCC(Sc1ncccn1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide?
The InChIKey is LBVVISJLLWYVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-9(19-12-13-5-4-6-14-12)11(17)15-10-7-8(2)18-16-10/h4-7,9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide has a molecular weight of 278.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-pyrimidin-2-ylsulfanylbutanamide is sourced from PubChem (CID 2930135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).