5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine

C17H23N5O — CID 167954540

IUPAC5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCN1CCN(C2CC(c3nc(Nc4ccccc4)no3)C2)CC1
InChIInChI=1S/C17H23N5O/c1-21-7-9-22(10-8-21)15-11-13(12-15)16-19-17(20-23-16)18-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20)
InChIKeySPCCRCCGKMYPAH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds4

About 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine

5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 167954540) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID167954540
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCN1CCN(C2CC(c3nc(Nc4ccccc4)no3)C2)CC1
InChIInChI=1S/C17H23N5O/c1-21-7-9-22(10-8-21)15-11-13(12-15)16-19-17(20-23-16)18-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20)
InChIKeySPCCRCCGKMYPAH-UHFFFAOYSA-N
XLogP2.31
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
CID 91408724
2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
CID 171662539
2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine
CID 155233764
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 139891033
4-methyl-N-phenylpiperazin-1-amine
CID 22361228
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
CID 154843471
N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine
CID 167906135
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
1-methylpiperazine;N-phenylaniline
CID 161010175
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine (CID 167954540) is 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine is CN1CCN(C2CC(c3nc(Nc4ccccc4)no3)C2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is SPCCRCCGKMYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-7-9-22(10-8-21)15-11-13(12-15)16-19-17(20-23-16)18-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20).
What are the key properties of 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 313.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167954540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).