5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide

C19H15ClFN5O3 — CID 70655762

IUPAC5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(C)Cn2ccc(-c3ccc(C#N)c(Cl)c3F)n2)no1
InChIInChI=1S/C19H15ClFN5O3/c1-10(23-19(28)15-7-16(11(2)27)29-25-15)9-26-6-5-14(24-26)13-4-3-12(8-22)17(20)18(13)21/h3-7,10H,9H2,1-2H3,(H,23,28)
InChIKeyGXBYXIRDAKBNJT-UHFFFAOYSA-N
MW415.81 g/mol
LogP3.22
Rot. Bonds6

About 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide

5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 70655762) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID70655762
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(C)Cn2ccc(-c3ccc(C#N)c(Cl)c3F)n2)no1
InChIInChI=1S/C19H15ClFN5O3/c1-10(23-19(28)15-7-16(11(2)27)29-25-15)9-26-6-5-14(24-26)13-4-3-12(8-22)17(20)18(13)21/h3-7,10H,9H2,1-2H3,(H,23,28)
InChIKeyGXBYXIRDAKBNJT-UHFFFAOYSA-N
XLogP3.22
TPSA113.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide (CID 70655762) is 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide is CC(=O)c1cc(C(=O)NC(C)Cn2ccc(-c3ccc(C#N)c(Cl)c3F)n2)no1.
What is the InChIKey of 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GXBYXIRDAKBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c1-10(23-19(28)15-7-16(11(2)27)29-25-15)9-26-6-5-14(24-26)13-4-3-12(8-22)17(20)18(13)21/h3-7,10H,9H2,1-2H3,(H,23,28).
What are the key properties of 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide?
5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.81 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70655762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).