5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

C13H16ClN3O — CID 10611759

IUPAC5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
SMILESCc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12
InChIInChI=1S/C13H16ClN3O/c1-9-7-10(14)8-11-12(9)18-13(15-11)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyRXBCJKUZCIPXRD-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.54
Rot. Bonds1

About 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 10611759) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID10611759
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
SMILESCc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12
InChIInChI=1S/C13H16ClN3O/c1-9-7-10(14)8-11-12(9)18-13(15-11)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyRXBCJKUZCIPXRD-UHFFFAOYSA-N
XLogP2.54
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (CID 10611759) is 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is Cc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12.
What is the InChIKey of 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is RXBCJKUZCIPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-7-10(14)8-11-12(9)18-13(15-11)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 265.74 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 10611759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).