5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole

C18H19ClN4O — CID 121331070

IUPAC5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole
SMILESCc1c(Cl)cc2nc(N3CCNCC3C)oc2c1-c1ccccn1
InChIInChI=1S/C18H19ClN4O/c1-11-10-20-7-8-23(11)18-22-15-9-13(19)12(2)16(17(15)24-18)14-5-3-4-6-21-14/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyPZFYPDDUNXCFLA-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole

5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole (PubChem CID 121331070) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole
PubChem CID121331070
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole
SMILESCc1c(Cl)cc2nc(N3CCNCC3C)oc2c1-c1ccccn1
InChIInChI=1S/C18H19ClN4O/c1-11-10-20-7-8-23(11)18-22-15-9-13(19)12(2)16(17(15)24-18)14-5-3-4-6-21-14/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyPZFYPDDUNXCFLA-UHFFFAOYSA-N
XLogP3.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole (CID 121331070) is 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole is Cc1c(Cl)cc2nc(N3CCNCC3C)oc2c1-c1ccccn1.
What is the InChIKey of 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is PZFYPDDUNXCFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-11-10-20-7-8-23(11)18-22-15-9-13(19)12(2)16(17(15)24-18)14-5-3-4-6-21-14/h3-6,9,11,20H,7-8,10H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole?
5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 342.83 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-(2-methylpiperazin-1-yl)-7-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 121331070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).