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

C18H14ClN5O3 — CID 24853177

IUPAC4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCn1c(OCc2cc(-c3cccc(Cl)c3)on2)nnc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C18H14ClN5O3/c1-24-17(12-5-6-20-16(25)8-12)21-22-18(24)26-10-14-9-15(27-23-14)11-3-2-4-13(19)7-11/h2-9H,10H2,1H3,(H,20,25)
InChIKeyUUPRDNMOMBWQCQ-UHFFFAOYSA-N
MW383.80 g/mol
LogP3.06
Rot. Bonds5

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

4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 24853177) has the molecular formula C18H14ClN5O3 and a molecular weight of 383.80 g/mol. Its IUPAC name is 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID24853177
Molecular FormulaC18H14ClN5O3
Molecular Weight383.80 g/mol
Exact Mass383.08
IUPAC Name4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCn1c(OCc2cc(-c3cccc(Cl)c3)on2)nnc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C18H14ClN5O3/c1-24-17(12-5-6-20-16(25)8-12)21-22-18(24)26-10-14-9-15(27-23-14)11-3-2-4-13(19)7-11/h2-9H,10H2,1H3,(H,20,25)
InChIKeyUUPRDNMOMBWQCQ-UHFFFAOYSA-N
XLogP3.06
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 24853177) is 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is Cn1c(OCc2cc(-c3cccc(Cl)c3)on2)nnc1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is UUPRDNMOMBWQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3/c1-24-17(12-5-6-20-16(25)8-12)21-22-18(24)26-10-14-9-15(27-23-14)11-3-2-4-13(19)7-11/h2-9H,10H2,1H3,(H,20,25).
What are the key properties of 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 383.80 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methoxy]-4-methyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 24853177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).