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

C14H9ClFN3O2 — CID 136742869

IUPAC5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESNc1noc(-c2ccc(=O)[nH]c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C14H9ClFN3O2/c15-9-3-1-2-8(12(9)16)11-13(21-19-14(11)17)7-4-5-10(20)18-6-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyRWILXTNTUDWGHF-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.07
Rot. Bonds2

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

5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (PubChem CID 136742869) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
PubChem CID136742869
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESNc1noc(-c2ccc(=O)[nH]c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C14H9ClFN3O2/c15-9-3-1-2-8(12(9)16)11-13(21-19-14(11)17)7-4-5-10(20)18-6-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyRWILXTNTUDWGHF-UHFFFAOYSA-N
XLogP3.07
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
5-[3-amino-4-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742850
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742855
5-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-2-one
CID 136742866
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (CID 136742869) is 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is Nc1noc(-c2ccc(=O)[nH]c2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The InChIKey is RWILXTNTUDWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c15-9-3-1-2-8(12(9)16)11-13(21-19-14(11)17)7-4-5-10(20)18-6-7/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of 5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one has a molecular weight of 305.70 g/mol, XLogP of 3.07, 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-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136742869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).