4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one

C18H17FN6O2 — CID 53311997

IUPAC4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESCc1ccnc(Nc2ccc(F)c(-c3cnc(N4CCNC(=O)C4)o3)n2)c1
InChIInChI=1S/C18H17FN6O2/c1-11-4-5-20-15(8-11)23-14-3-2-12(19)17(24-14)13-9-22-18(27-13)25-7-6-21-16(26)10-25/h2-5,8-9H,6-7,10H2,1H3,(H,21,26)(H,20,23,24)
InChIKeyAAHWZHLLMILLEN-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.26
Rot. Bonds4

About 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one

4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (PubChem CID 53311997) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
PubChem CID53311997
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESCc1ccnc(Nc2ccc(F)c(-c3cnc(N4CCNC(=O)C4)o3)n2)c1
InChIInChI=1S/C18H17FN6O2/c1-11-4-5-20-15(8-11)23-14-3-2-12(19)17(24-14)13-9-22-18(27-13)25-7-6-21-16(26)10-25/h2-5,8-9H,6-7,10H2,1H3,(H,21,26)(H,20,23,24)
InChIKeyAAHWZHLLMILLEN-UHFFFAOYSA-N
XLogP2.26
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (CID 53311997) is 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is Cc1ccnc(Nc2ccc(F)c(-c3cnc(N4CCNC(=O)C4)o3)n2)c1.
What is the InChIKey of 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The InChIKey is AAHWZHLLMILLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-11-4-5-20-15(8-11)23-14-3-2-12(19)17(24-14)13-9-22-18(27-13)25-7-6-21-16(26)10-25/h2-5,8-9H,6-7,10H2,1H3,(H,21,26)(H,20,23,24).
What are the key properties of 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one has a molecular weight of 368.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-fluoro-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is sourced from PubChem (CID 53311997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).