N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide

C17H19N5O2S — CID 22449979

IUPACN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-17(2,3)13-9-19-15(24-13)5-4-12-8-20-16(25-12)22-14(23)6-11-7-18-10-21-11/h4-5,7-10H,6H2,1-3H3,(H,18,21)(H,20,22,23)/b5-4+
InChIKeyOVGVTGFBZMYPQA-SNAWJCMRSA-N
MW357.44 g/mol
LogP3.50
Rot. Bonds5

About N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide

N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 22449979) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID22449979
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-17(2,3)13-9-19-15(24-13)5-4-12-8-20-16(25-12)22-14(23)6-11-7-18-10-21-11/h4-5,7-10H,6H2,1-3H3,(H,18,21)(H,20,22,23)/b5-4+
InChIKeyOVGVTGFBZMYPQA-SNAWJCMRSA-N
XLogP3.50
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (CID 22449979) is N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide is CC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Cc3cnc[nH]3)s2)o1.
What is the InChIKey of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is OVGVTGFBZMYPQA-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-17(2,3)13-9-19-15(24-13)5-4-12-8-20-16(25-12)22-14(23)6-11-7-18-10-21-11/h4-5,7-10H,6H2,1-3H3,(H,18,21)(H,20,22,23)/b5-4+.
What are the key properties of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 22449979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).