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

C18H14N6O3S — CID 42643913

IUPACN-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1
InChIInChI=1S/C18H14N6O3S/c1-11(25)18-19-7-13(28-18)9-24-21-8-14(23-24)22-17(26)15-16(27-10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,22,23,26)
InChIKeyOMZOXDMXGNILLD-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.89
Rot. Bonds6

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

N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 42643913) has the molecular formula C18H14N6O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID42643913
Molecular FormulaC18H14N6O3S
Molecular Weight394.42 g/mol
Exact Mass394.08
IUPAC NameN-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1
InChIInChI=1S/C18H14N6O3S/c1-11(25)18-19-7-13(28-18)9-24-21-8-14(23-24)22-17(26)15-16(27-10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,22,23,26)
InChIKeyOMZOXDMXGNILLD-UHFFFAOYSA-N
XLogP2.89
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 86698198
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42647244
N-[2-[[4-(methoxymethyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 57407307
N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 42645554
N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 66929161
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 42647240
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 66928374
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 42643913) is N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1ncc(Cn2ncc(NC(=O)c3ncoc3-c3ccccc3)n2)s1.
What is the InChIKey of N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is OMZOXDMXGNILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3S/c1-11(25)18-19-7-13(28-18)9-24-21-8-14(23-24)22-17(26)15-16(27-10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,22,23,26).
What are the key properties of N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-acetyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42643913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).