N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C18H14N6O4 — CID 42628856

IUPACN-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C18H14N6O4/c1-11(25)13-9-27-15(21-13)8-24-20-7-14(23-24)22-18(26)16-17(28-10-19-16)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,22,23,26)
InChIKeyIDKULFCSGKWMQX-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 42628856) has the molecular formula C18H14N6O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID42628856
Molecular FormulaC18H14N6O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC NameN-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C18H14N6O4/c1-11(25)13-9-27-15(21-13)8-24-20-7-14(23-24)22-18(26)16-17(28-10-19-16)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,22,23,26)
InChIKeyIDKULFCSGKWMQX-UHFFFAOYSA-N
XLogP2.42
TPSA128.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 42628856) is N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is IDKULFCSGKWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4/c1-11(25)13-9-27-15(21-13)8-24-20-7-14(23-24)22-18(26)16-17(28-10-19-16)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,22,23,26).
What are the key properties of N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42628856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).