N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine

C18H19BrN4OS — CID 44526856

IUPACN-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine
SMILESBrc1ccsc1-c1nc(NC2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C18H19BrN4OS/c19-15-8-11-25-16(15)17-21-18(22-24-17)20-14-6-9-23(10-7-14)12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22)
InChIKeyKCORCINSRFBNQC-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.64
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine

N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526856) has the molecular formula C18H19BrN4OS and a molecular weight of 419.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID44526856
Molecular FormulaC18H19BrN4OS
Molecular Weight419.35 g/mol
Exact Mass418.05
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine
SMILESBrc1ccsc1-c1nc(NC2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C18H19BrN4OS/c19-15-8-11-25-16(15)17-21-18(22-24-17)20-14-6-9-23(10-7-14)12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22)
InChIKeyKCORCINSRFBNQC-UHFFFAOYSA-N
XLogP4.64
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483006
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
CID 118997215
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine (CID 44526856) is N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine is Brc1ccsc1-c1nc(NC2CCN(Cc3ccccc3)CC2)no1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is KCORCINSRFBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4OS/c19-15-8-11-25-16(15)17-21-18(22-24-17)20-14-6-9-23(10-7-14)12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine?
N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 419.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).