N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine

C21H24N4O2 — CID 56640136

IUPACN,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C21H24N4O2/c1-25(2)21-24-23-20(27-21)13-22-19-12-18(19)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-11,18-19,22H,12-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyWZDUFIOGQLZMOF-RBUKOAKNSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds8

About N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine

N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 56640136) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID56640136
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C21H24N4O2/c1-25(2)21-24-23-20(27-21)13-22-19-12-18(19)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-11,18-19,22H,12-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyWZDUFIOGQLZMOF-RBUKOAKNSA-N
XLogP3.36
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

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
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
5-[[[(1R,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66715075
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
CID 66714821

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (CID 56640136) is N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is CN(C)c1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1.
What is the InChIKey of N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WZDUFIOGQLZMOF-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(2)21-24-23-20(27-21)13-22-19-12-18(19)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-11,18-19,22H,12-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 56640136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).