(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine

C21H22N4O — CID 147668280

IUPAC(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccccn4)n3)CCC2)cc1
InChIInChI=1S/C21H22N4O/c1-2-7-15(8-3-1)16-13-18(16)23-14-21(10-6-11-21)20-24-19(26-25-20)17-9-4-5-12-22-17/h1-5,7-9,12,16,18,23H,6,10-11,13-14H2/t16?,18-/m0/s1
InChIKeyGMSRHRNZXWZZKS-DAFXYXGESA-N
MW346.43 g/mol
LogP3.70
Rot. Bonds6

About (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine

(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine (PubChem CID 147668280) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine
PubChem CID147668280
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccccn4)n3)CCC2)cc1
InChIInChI=1S/C21H22N4O/c1-2-7-15(8-3-1)16-13-18(16)23-14-21(10-6-11-21)20-24-19(26-25-20)17-9-4-5-12-22-17/h1-5,7-9,12,16,18,23H,6,10-11,13-14H2/t16?,18-/m0/s1
InChIKeyGMSRHRNZXWZZKS-DAFXYXGESA-N
XLogP3.70
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine (CID 147668280) is (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccccn4)n3)CCC2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine?
The InChIKey is GMSRHRNZXWZZKS-DAFXYXGESA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-7-15(8-3-1)16-13-18(16)23-14-21(10-6-11-21)20-24-19(26-25-20)17-9-4-5-12-22-17/h1-5,7-9,12,16,18,23H,6,10-11,13-14H2/t16?,18-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine?
(1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine has a molecular weight of 346.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-[[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 147668280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).