5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine

C18H18N8O — CID 70706972

IUPAC5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
SMILESc1ccc(CCCc2noc(-c3ccc(NCc4nn[nH]n4)nc3)n2)cc1
InChIInChI=1S/C18H18N8O/c1-2-5-13(6-3-1)7-4-8-16-21-18(27-24-16)14-9-10-15(19-11-14)20-12-17-22-25-26-23-17/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,20)(H,22,23,25,26)
InChIKeyLLOBXJCVDBMBOW-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.43
Rot. Bonds8

About 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine

5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine (PubChem CID 70706972) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
PubChem CID70706972
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
SMILESc1ccc(CCCc2noc(-c3ccc(NCc4nn[nH]n4)nc3)n2)cc1
InChIInChI=1S/C18H18N8O/c1-2-5-13(6-3-1)7-4-8-16-21-18(27-24-16)14-9-10-15(19-11-14)20-12-17-22-25-26-23-17/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,20)(H,22,23,25,26)
InChIKeyLLOBXJCVDBMBOW-UHFFFAOYSA-N
XLogP2.43
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95874320
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 26409598
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 95729450
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28685485
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 53037257
N-benzyl-5-phenylpyridin-2-amine
CID 24949412

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine (CID 70706972) is 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine is c1ccc(CCCc2noc(-c3ccc(NCc4nn[nH]n4)nc3)n2)cc1.
What is the InChIKey of 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is LLOBXJCVDBMBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-2-5-13(6-3-1)7-4-8-16-21-18(27-24-16)14-9-10-15(19-11-14)20-12-17-22-25-26-23-17/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,20)(H,22,23,25,26).
What are the key properties of 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine?
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 362.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 70706972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).