trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C19H26N4O — CID 146994117

IUPACtrans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCC(C)[C@H](N)c1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1
InChIInChI=1S/C19H26N4O/c1-12(2)16(20)17-22-18(23-24-17)19(8-9-19)11-21-15-10-14(15)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11,20H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyAQTGCFKYLLQRLH-XHSDSOJGSA-N
MW326.44 g/mol
LogP2.90
Rot. Bonds7

About trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 146994117) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID146994117
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Nametrans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCC(C)[C@H](N)c1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1
InChIInChI=1S/C19H26N4O/c1-12(2)16(20)17-22-18(23-24-17)19(8-9-19)11-21-15-10-14(15)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11,20H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyAQTGCFKYLLQRLH-XHSDSOJGSA-N
XLogP2.90
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine with MolForge

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Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
2-(4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 16189966
(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 58035515
US11433053, Example 226
CID 148628742
US11433053, Example 244
CID 155265904
2-[(1S)-2-methyl-1-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]propyl]guanidine;hydrochloride
CID 118734386
US11433053, Example 144
CID 146311171
US11433053, Example 153
CID 146694800
US11433053, Example 117
CID 146732295
US11433053, Example 171
CID 146789668
US11433053, Example 172
CID 146789669

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 146994117) is trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is CC(C)[C@H](N)c1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1.
What is the InChIKey of trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is AQTGCFKYLLQRLH-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)16(20)17-22-18(23-24-17)19(8-9-19)11-21-15-10-14(15)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11,20H2,1-2H3/t14-,15+,16-/m0/s1.
What are the key properties of trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 326.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[[1-[5-[(1S)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 146994117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).