3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C19H24N4O — CID 148654551

IUPAC3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CC3)no2)C1
InChIInChI=1S/C19H24N4O/c20-14-8-13(9-14)17-22-18(23-24-17)19(6-7-19)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,21H,6-11,20H2/t13?,14?,15-,16+/m0/s1
InChIKeyNMOGAOSWLAAHEC-SSHXOBKSSA-N
MW324.43 g/mol
LogP2.45
Rot. Bonds6

About 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 148654551) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID148654551
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CC3)no2)C1
InChIInChI=1S/C19H24N4O/c20-14-8-13(9-14)17-22-18(23-24-17)19(6-7-19)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,21H,6-11,20H2/t13?,14?,15-,16+/m0/s1
InChIKeyNMOGAOSWLAAHEC-SSHXOBKSSA-N
XLogP2.45
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 148654551) is 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is NC1CC(c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CC3)no2)C1.
What is the InChIKey of 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is NMOGAOSWLAAHEC-SSHXOBKSSA-N. The full InChI is InChI=1S/C19H24N4O/c20-14-8-13(9-14)17-22-18(23-24-17)19(6-7-19)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,21H,6-11,20H2/t13?,14?,15-,16+/m0/s1.
What are the key properties of 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 324.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 148654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).