trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

C20H20N2O2 — CID 174895535

IUPACtrans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc([C@@H]3C[C@H]3NCc3ncco3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-4-15(5-3-1)14-24-17-8-6-16(7-9-17)18-12-19(18)22-13-20-21-10-11-23-20/h1-11,18-19,22H,12-14H2/t18-,19+/m0/s1
InChIKeyUIQYGUNCTXZPKT-RBUKOAKNSA-N
MW320.39 g/mol
LogP3.90
Rot. Bonds7

About trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 174895535) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID174895535
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Nametrans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc([C@@H]3C[C@H]3NCc3ncco3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-4-15(5-3-1)14-24-17-8-6-16(7-9-17)18-12-19(18)22-13-20-21-10-11-23-20/h1-11,18-19,22H,12-14H2/t18-,19+/m0/s1
InChIKeyUIQYGUNCTXZPKT-RBUKOAKNSA-N
XLogP3.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640136
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
CID 66714821
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine
CID 151289987
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (CID 174895535) is trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is c1ccc(COc2ccc([C@@H]3C[C@H]3NCc3ncco3)cc2)cc1.
What is the InChIKey of trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is UIQYGUNCTXZPKT-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-4-15(5-3-1)14-24-17-8-6-16(7-9-17)18-12-19(18)22-13-20-21-10-11-23-20/h1-11,18-19,22H,12-14H2/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 320.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 174895535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).