5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

C14H9Cl2N3O2 — CID 136742850

IUPAC5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESNc1noc(-c2ccc(=O)[nH]c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-1-7(5-10(9)16)12-13(21-19-14(12)17)8-2-4-11(20)18-6-8/h1-6H,(H2,17,19)(H,18,20)
InChIKeyUPKBIAADZGDBMY-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.59
Rot. Bonds2

About 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (PubChem CID 136742850) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
PubChem CID136742850
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESNc1noc(-c2ccc(=O)[nH]c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-1-7(5-10(9)16)12-13(21-19-14(12)17)8-2-4-11(20)18-6-8/h1-6H,(H2,17,19)(H,18,20)
InChIKeyUPKBIAADZGDBMY-UHFFFAOYSA-N
XLogP3.59
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742855
5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742869
5-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-2-one
CID 136742866
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
5-(5-bromofuran-2-yl)-4-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200021
4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66198818
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103222593
5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200386

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (CID 136742850) is 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is Nc1noc(-c2ccc(=O)[nH]c2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The InChIKey is UPKBIAADZGDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-3-1-7(5-10(9)16)12-13(21-19-14(12)17)8-2-4-11(20)18-6-8/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one has a molecular weight of 322.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136742850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).