5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride

C16H20ClN5O2 — CID 160674405

IUPAC5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride
SMILESCc1ccc2oc(Cc3nnc(CN4CCNCC4)o3)nc2c1.Cl
InChIInChI=1S/C16H19N5O2.ClH/c1-11-2-3-13-12(8-11)18-14(22-13)9-15-19-20-16(23-15)10-21-6-4-17-5-7-21;/h2-3,8,17H,4-7,9-10H2,1H3;1H
InChIKeyGRAJMXDLQKLGIL-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.94
Rot. Bonds4

About 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride

5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride (PubChem CID 160674405) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride
PubChem CID160674405
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride
SMILESCc1ccc2oc(Cc3nnc(CN4CCNCC4)o3)nc2c1.Cl
InChIInChI=1S/C16H19N5O2.ClH/c1-11-2-3-13-12(8-11)18-14(22-13)9-15-19-20-16(23-15)10-21-6-4-17-5-7-21;/h2-3,8,17H,4-7,9-10H2,1H3;1H
InChIKeyGRAJMXDLQKLGIL-UHFFFAOYSA-N
XLogP1.94
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride with MolForge

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
5-methyl-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 62309454
7-methyl-2-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 79601557
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
CID 66434043
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine
CID 167253315
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride?
The IUPAC name of 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride (CID 160674405) is 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride.
What is the SMILES notation for 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride?
The canonical SMILES for 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride is Cc1ccc2oc(Cc3nnc(CN4CCNCC4)o3)nc2c1.Cl.
What is the InChIKey of 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride?
The InChIKey is GRAJMXDLQKLGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.ClH/c1-11-2-3-13-12(8-11)18-14(22-13)9-15-19-20-16(23-15)10-21-6-4-17-5-7-21;/h2-3,8,17H,4-7,9-10H2,1H3;1H.
What are the key properties of 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride?
5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazole;hydrochloride is sourced from PubChem (CID 160674405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).