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

C18H16ClN5O2 — CID 53311405

IUPAC4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CCN1
InChIInChI=1S/C18H16ClN5O2/c19-12-4-6-13(7-5-12)22-16-3-1-2-14(23-16)15-10-21-18(26-15)24-9-8-20-17(25)11-24/h1-7,10H,8-9,11H2,(H,20,25)(H,22,23)
InChIKeyYJKVLERPKLLVLK-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.07
Rot. Bonds4

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

4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (PubChem CID 53311405) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
PubChem CID53311405
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CCN1
InChIInChI=1S/C18H16ClN5O2/c19-12-4-6-13(7-5-12)22-16-3-1-2-14(23-16)15-10-21-18(26-15)24-9-8-20-17(25)11-24/h1-7,10H,8-9,11H2,(H,20,25)(H,22,23)
InChIKeyYJKVLERPKLLVLK-UHFFFAOYSA-N
XLogP3.07
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one (CID 53311405) is 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is O=C1CN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CCN1.
What is the InChIKey of 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
The InChIKey is YJKVLERPKLLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-12-4-6-13(7-5-12)22-16-3-1-2-14(23-16)15-10-21-18(26-15)24-9-8-20-17(25)11-24/h1-7,10H,8-9,11H2,(H,20,25)(H,22,23).
What are the key properties of 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one?
4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one has a molecular weight of 369.81 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(4-chloroanilino)-2-pyridinyl]-1,3-oxazol-2-yl]piperazin-2-one is sourced from PubChem (CID 53311405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).