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

C20H22N4O2 — CID 56640198

IUPACN-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C20H22N4O2/c1-21-20-24-23-19(26-20)12-22-18-11-17(18)15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyGONNHMGQHNCZBQ-ZWKOTPCHSA-N
MW350.42 g/mol
LogP3.34
Rot. Bonds8

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

N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 56640198) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID56640198
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C20H22N4O2/c1-21-20-24-23-19(26-20)12-22-18-11-17(18)15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyGONNHMGQHNCZBQ-ZWKOTPCHSA-N
XLogP3.34
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-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-[[[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
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
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
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-[[(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-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine (CID 56640198) is N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is CNc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1.
What is the InChIKey of N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GONNHMGQHNCZBQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-21-20-24-23-19(26-20)12-22-18-11-17(18)15-7-9-16(10-8-15)25-13-14-5-3-2-4-6-14/h2-10,17-18,22H,11-13H2,1H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine?
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 350.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 56640198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).