(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C23H30N4O — CID 149216189

IUPAC(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc(C4CC5(CCNCC5)C4)n3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(6-7-23)21-26-20(28-27-21)17-13-22(14-17)8-10-24-11-9-22/h1-5,17-19,24-25H,6-15H2/t18?,19-/m0/s1
InChIKeyXHNYBTADLJOKLH-GGYWPGCISA-N
MW378.52 g/mol
LogP3.49
Rot. Bonds6

About (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 149216189) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID149216189
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc(C4CC5(CCNCC5)C4)n3)CC2)cc1
InChIInChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(6-7-23)21-26-20(28-27-21)17-13-22(14-17)8-10-24-11-9-22/h1-5,17-19,24-25H,6-15H2/t18?,19-/m0/s1
InChIKeyXHNYBTADLJOKLH-GGYWPGCISA-N
XLogP3.49
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 149216189) is (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is c1ccc(C2C[C@@H]2NCC2(c3noc(C4CC5(CCNCC5)C4)n3)CC2)cc1.
What is the InChIKey of (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is XHNYBTADLJOKLH-GGYWPGCISA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-4-16(5-3-1)18-12-19(18)25-15-23(6-7-23)21-26-20(28-27-21)17-13-22(14-17)8-10-24-11-9-22/h1-5,17-19,24-25H,6-15H2/t18?,19-/m0/s1.
What are the key properties of (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 378.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-[5-(7-azaspiro[3.5]nonan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 149216189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).