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

C19H15ClFN5O3 — CID 52920063

IUPAC5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC[C@H](C)n2ccc(-c3cc(F)c(C#N)c(Cl)c3)n2)no1
InChIInChI=1S/C19H15ClFN5O3/c1-10(9-23-19(28)17-7-18(11(2)27)29-25-17)26-4-3-16(24-26)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,28)/t10-/m0/s1
InChIKeyJGUVRMBDYXQHSN-JTQLQIEISA-N
MW415.81 g/mol
LogP3.40
Rot. Bonds6

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

5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 52920063) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
PubChem CID52920063
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC[C@H](C)n2ccc(-c3cc(F)c(C#N)c(Cl)c3)n2)no1
InChIInChI=1S/C19H15ClFN5O3/c1-10(9-23-19(28)17-7-18(11(2)27)29-25-17)26-4-3-16(24-26)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,28)/t10-/m0/s1
InChIKeyJGUVRMBDYXQHSN-JTQLQIEISA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide (CID 52920063) is 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide is CC(=O)c1cc(C(=O)NC[C@H](C)n2ccc(-c3cc(F)c(C#N)c(Cl)c3)n2)no1.
What is the InChIKey of 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JGUVRMBDYXQHSN-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c1-10(9-23-19(28)17-7-18(11(2)27)29-25-17)26-4-3-16(24-26)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,28)/t10-/m0/s1.
What are the key properties of 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide?
5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.81 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2S)-2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52920063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).