5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole

C16H19N5OS — CID 56879372

IUPAC5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole
SMILESCCSc1ncc(-c2nccn2Cc2cc(C(C)C)no2)cn1
InChIInChI=1S/C16H19N5OS/c1-4-23-16-18-8-12(9-19-16)15-17-5-6-21(15)10-13-7-14(11(2)3)20-22-13/h5-9,11H,4,10H2,1-3H3
InChIKeyBYCLWKSIFZYWGH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.61
Rot. Bonds6

About 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole

5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole (PubChem CID 56879372) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole
PubChem CID56879372
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole
SMILESCCSc1ncc(-c2nccn2Cc2cc(C(C)C)no2)cn1
InChIInChI=1S/C16H19N5OS/c1-4-23-16-18-8-12(9-19-16)15-17-5-6-21(15)10-13-7-14(11(2)3)20-22-13/h5-9,11H,4,10H2,1-3H3
InChIKeyBYCLWKSIFZYWGH-UHFFFAOYSA-N
XLogP3.61
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole (CID 56879372) is 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole is CCSc1ncc(-c2nccn2Cc2cc(C(C)C)no2)cn1.
What is the InChIKey of 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is BYCLWKSIFZYWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-4-23-16-18-8-12(9-19-16)15-17-5-6-21(15)10-13-7-14(11(2)3)20-22-13/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole?
5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 329.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 56879372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).