5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C20H20N4OS — CID 50979465

IUPAC5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2nccs2)no1
InChIInChI=1S/C20H20N4OS/c1-14(2)10-17-11-16(23-25-17)12-24-13-22-18(15-6-4-3-5-7-15)19(24)20-21-8-9-26-20/h3-9,11,13-14H,10,12H2,1-2H3
InChIKeyXDPLIUAPBBMHHA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.91
Rot. Bonds6

About 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 50979465) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID50979465
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2nccs2)no1
InChIInChI=1S/C20H20N4OS/c1-14(2)10-17-11-16(23-25-17)12-24-13-22-18(15-6-4-3-5-7-15)19(24)20-21-8-9-26-20/h3-9,11,13-14H,10,12H2,1-2H3
InChIKeyXDPLIUAPBBMHHA-UHFFFAOYSA-N
XLogP4.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 50979465) is 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2nccs2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is XDPLIUAPBBMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14(2)10-17-11-16(23-25-17)12-24-13-22-18(15-6-4-3-5-7-15)19(24)20-21-8-9-26-20/h3-9,11,13-14H,10,12H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 364.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 50979465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).