4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

C19H16ClN5O3 — CID 24853274

IUPAC4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESC[C@@H](Oc1nnc(-c2cc[nH]c(=O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C19H16ClN5O3/c1-11(15-10-16(28-24-15)12-4-3-5-14(20)8-12)27-19-23-22-18(25(19)2)13-6-7-21-17(26)9-13/h3-11H,1-2H3,(H,21,26)/t11-/m1/s1
InChIKeyYGGDHMSWIMDIPD-LLVKDONJSA-N
MW397.82 g/mol
LogP3.62
Rot. Bonds5

About 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 24853274) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID24853274
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESC[C@@H](Oc1nnc(-c2cc[nH]c(=O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C19H16ClN5O3/c1-11(15-10-16(28-24-15)12-4-3-5-14(20)8-12)27-19-23-22-18(25(19)2)13-6-7-21-17(26)9-13/h3-11H,1-2H3,(H,21,26)/t11-/m1/s1
InChIKeyYGGDHMSWIMDIPD-LLVKDONJSA-N
XLogP3.62
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 24853274) is 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is C[C@@H](Oc1nnc(-c2cc[nH]c(=O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is YGGDHMSWIMDIPD-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-11(15-10-16(28-24-15)12-4-3-5-14(20)8-12)27-19-23-22-18(25(19)2)13-6-7-21-17(26)9-13/h3-11H,1-2H3,(H,21,26)/t11-/m1/s1.
What are the key properties of 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 397.82 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 24853274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).