N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide

C25H32N4O2 — CID 155633182

IUPACN-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(c2nc(C3(CN[C@@H]4CC4c4ccccc4)CC3)no2)CC1)C1CC1
InChIInChI=1S/C25H32N4O2/c30-22(17-6-7-17)27-19-10-8-18(9-11-19)23-28-24(29-31-23)25(12-13-25)15-26-21-14-20(21)16-4-2-1-3-5-16/h1-5,17-21,26H,6-15H2,(H,27,30)/t18?,19?,20?,21-/m1/s1
InChIKeyRIFJTOFTNZJSKV-YGHZMKOFSA-N
MW420.56 g/mol
LogP3.80
Rot. Bonds8

About N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide

N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 155633182) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide
PubChem CID155633182
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(c2nc(C3(CN[C@@H]4CC4c4ccccc4)CC3)no2)CC1)C1CC1
InChIInChI=1S/C25H32N4O2/c30-22(17-6-7-17)27-19-10-8-18(9-11-19)23-28-24(29-31-23)25(12-13-25)15-26-21-14-20(21)16-4-2-1-3-5-16/h1-5,17-21,26H,6-15H2,(H,27,30)/t18?,19?,20?,21-/m1/s1
InChIKeyRIFJTOFTNZJSKV-YGHZMKOFSA-N
XLogP3.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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
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
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
methyl 4-[[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzoate;4-[[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzoic acid
CID 161176974
trans-(1R,2S)-N-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155265854
4-[[4-[[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methyl]benzoic acid
CID 155633034
(1S)-N-[[1-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 149452538
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
4-[[4-[3-[1-[(cyclopropylamino)methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzoic acid
CID 155266141
4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 155266060
N-methyl-3-[(2S)-2-[[1-[(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)methyl]cyclopropyl]methylamino]cyclopropyl]-N-[4-[3-[1-[[(2-phenylcyclopropyl)amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]aniline
CID 155265995

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide (CID 155633182) is N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(c2nc(C3(CN[C@@H]4CC4c4ccccc4)CC3)no2)CC1)C1CC1.
What is the InChIKey of N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is RIFJTOFTNZJSKV-YGHZMKOFSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-22(17-6-7-17)27-19-10-8-18(9-11-19)23-28-24(29-31-23)25(12-13-25)15-26-21-14-20(21)16-4-2-1-3-5-16/h1-5,17-21,26H,6-15H2,(H,27,30)/t18?,19?,20?,21-/m1/s1.
What are the key properties of N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[1-[[[(1R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 155633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).