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

C16H19N3O — CID 155265854

IUPACtrans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCc1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1
InChIInChI=1S/C16H19N3O/c1-11-18-15(19-20-11)16(7-8-16)10-17-14-9-13(14)12-5-3-2-4-6-12/h2-6,13-14,17H,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyRVSDGECFPZYOML-UONOGXRCSA-N
MW269.35 g/mol
LogP2.56
Rot. Bonds5

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

trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155265854) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155265854
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nametrans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCc1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1
InChIInChI=1S/C16H19N3O/c1-11-18-15(19-20-11)16(7-8-16)10-17-14-9-13(14)12-5-3-2-4-6-12/h2-6,13-14,17H,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyRVSDGECFPZYOML-UONOGXRCSA-N
XLogP2.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 149184068
(1S)-N-[[1-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 149452538
4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 155266060
4-[[4-[[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methyl]benzoic acid
CID 155633034
N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide
CID 155633182
trans-(1S,2R)-N-[[1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266648
3-[(2S)-2-[[1-[5-(4-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methylamino]cyclopropyl]-N-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]aniline
CID 155266557
(1S)-2-phenyl-N-[[1-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine
CID 155266113
methyl 4-[3-[1-[[[(1S,2R)-2-[4-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexanecarbonyl]oxymethyl]phenyl]cyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate
CID 155266011
4-[[4-[[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 155265962
N-[[1-[5-(1,3-benzothiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 155265813
5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 155265647

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 155265854) is trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is Cc1nc(C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)no1.
What is the InChIKey of trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is RVSDGECFPZYOML-UONOGXRCSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-18-15(19-20-11)16(7-8-16)10-17-14-9-13(14)12-5-3-2-4-6-12/h2-6,13-14,17H,7-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155265854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).