N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide

C15H14N4O2S — CID 71457608

IUPACN-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cc3cccnc3)o2)s1
InChIInChI=1S/C15H14N4O2S/c1-9-14(22-15(18-9)19-10(2)20)12-8-17-13(21-12)6-11-4-3-5-16-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,19,20)
InChIKeyLOHNHPSSJIPXKV-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.05
Rot. Bonds4

About N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71457608) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID71457608
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cc3cccnc3)o2)s1
InChIInChI=1S/C15H14N4O2S/c1-9-14(22-15(18-9)19-10(2)20)12-8-17-13(21-12)6-11-4-3-5-16-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,19,20)
InChIKeyLOHNHPSSJIPXKV-UHFFFAOYSA-N
XLogP3.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 71457608) is N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Cc3cccnc3)o2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LOHNHPSSJIPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-14(22-15(18-9)19-10(2)20)12-8-17-13(21-12)6-11-4-3-5-16-7-11/h3-5,7-8H,6H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71457608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).