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

C17H15ClN6O2 — CID 53311659

IUPAC4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CCN1
InChIInChI=1S/C17H15ClN6O2/c18-11-4-5-14(20-8-11)23-15-3-1-2-12(22-15)13-9-21-17(26-13)24-7-6-19-16(25)10-24/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,22,23)
InChIKeyHINPGYJZHIHDDE-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.46
Rot. Bonds4

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

4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (PubChem CID 53311659) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
PubChem CID53311659
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CCN1
InChIInChI=1S/C17H15ClN6O2/c18-11-4-5-14(20-8-11)23-15-3-1-2-12(22-15)13-9-21-17(26-13)24-7-6-19-16(25)10-24/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,22,23)
InChIKeyHINPGYJZHIHDDE-UHFFFAOYSA-N
XLogP2.46
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (CID 53311659) is 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is O=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CCN1.
What is the InChIKey of 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The InChIKey is HINPGYJZHIHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c18-11-4-5-14(20-8-11)23-15-3-1-2-12(22-15)13-9-21-17(26-13)24-7-6-19-16(25)10-24/h1-5,8-9H,6-7,10H2,(H,19,25)(H,20,22,23).
What are the key properties of 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one has a molecular weight of 370.80 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is sourced from PubChem (CID 53311659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).