N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide

C19H14FN5O3S — CID 42647244

IUPACN-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(F)c3)n2)s1
InChIInChI=1S/C19H14FN5O3S/c1-11(26)15-6-5-14(29-15)9-25-22-8-16(24-25)23-19(27)17-18(28-10-21-17)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,23,24,27)
InChIKeyYSAFAIUMXGXJIV-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.64
Rot. Bonds6

About N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide

N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 42647244) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID42647244
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC NameN-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(F)c3)n2)s1
InChIInChI=1S/C19H14FN5O3S/c1-11(26)15-6-5-14(29-15)9-25-22-8-16(24-25)23-19(27)17-18(28-10-21-17)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,23,24,27)
InChIKeyYSAFAIUMXGXJIV-UHFFFAOYSA-N
XLogP3.64
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 42647244) is N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(F)c3)n2)s1.
What is the InChIKey of N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YSAFAIUMXGXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c1-11(26)15-6-5-14(29-15)9-25-22-8-16(24-25)23-19(27)17-18(28-10-21-17)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,23,24,27).
What are the key properties of N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-(3-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42647244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).