N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

C19H19N3O2 — CID 174895193

IUPACN-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3CC3NCc3ncno3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)17-10-18(17)20-11-19-21-13-22-24-19/h1-9,13,17-18,20H,10-12H2
InChIKeyUYASTLPTQABTQV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds7

About N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 174895193) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID174895193
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3CC3NCc3ncno3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)17-10-18(17)20-11-19-21-13-22-24-19/h1-9,13,17-18,20H,10-12H2
InChIKeyUYASTLPTQABTQV-UHFFFAOYSA-N
XLogP3.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198
N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640136
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
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
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine
CID 151289987

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (CID 174895193) is N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is c1ccc(COc2ccc(C3CC3NCc3ncno3)cc2)cc1.
What is the InChIKey of N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is UYASTLPTQABTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)17-10-18(17)20-11-19-21-13-22-24-19/h1-9,13,17-18,20H,10-12H2.
What are the key properties of N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 321.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 174895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).