N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine

C17H19N5O2 — CID 134085508

IUPACN-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3coc(C4CCCNC4)n3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-12(6-3-1)9-19-17-22-21-16(24-17)14-11-23-15(20-14)13-7-4-8-18-10-13/h1-3,5-6,11,13,18H,4,7-10H2,(H,19,22)
InChIKeyGMCNCKSMSDBOMP-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.80
Rot. Bonds5

About N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine

N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 134085508) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID134085508
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3coc(C4CCCNC4)n3)o2)cc1
InChIInChI=1S/C17H19N5O2/c1-2-5-12(6-3-1)9-19-17-22-21-16(24-17)14-11-23-15(20-14)13-7-4-8-18-10-13/h1-3,5-6,11,13,18H,4,7-10H2,(H,19,22)
InChIKeyGMCNCKSMSDBOMP-UHFFFAOYSA-N
XLogP2.80
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

4-benzyl-2-piperidin-3-yl-1,3-oxazole
CID 115044768
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456525
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 134085508) is N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(-c3coc(C4CCCNC4)n3)o2)cc1.
What is the InChIKey of N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GMCNCKSMSDBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-5-12(6-3-1)9-19-17-22-21-16(24-17)14-11-23-15(20-14)13-7-4-8-18-10-13/h1-3,5-6,11,13,18H,4,7-10H2,(H,19,22).
What are the key properties of N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine?
N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134085508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).