N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C21H27N3O2 — CID 138057418

IUPACN-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESc1ccc2c(c1)CCC(CNC[C@@H]1CC[C@H](c3nc(C4CC4)no3)O1)C2
InChIInChI=1S/C21H27N3O2/c1-2-4-17-11-14(5-6-15(17)3-1)12-22-13-18-9-10-19(25-18)21-23-20(24-26-21)16-7-8-16/h1-4,14,16,18-19,22H,5-13H2/t14?,18-,19+/m0/s1
InChIKeyZEQFAHFSPHHKKM-GGUZCGDUSA-N
MW353.47 g/mol
LogP3.56
Rot. Bonds6

About N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 138057418) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID138057418
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESc1ccc2c(c1)CCC(CNC[C@@H]1CC[C@H](c3nc(C4CC4)no3)O1)C2
InChIInChI=1S/C21H27N3O2/c1-2-4-17-11-14(5-6-15(17)3-1)12-22-13-18-9-10-19(25-18)21-23-20(24-26-21)16-7-8-16/h1-4,14,16,18-19,22H,5-13H2/t14?,18-,19+/m0/s1
InChIKeyZEQFAHFSPHHKKM-GGUZCGDUSA-N
XLogP3.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine with MolForge

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Related Compounds

[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
1-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 120974105
2-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-phenylguanidine;hydroiodide
CID 120974082
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 65408038
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126609
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
N-[[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 107127585
2-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 120974091
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
CID 97017050
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129379528

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 138057418) is N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is c1ccc2c(c1)CCC(CNC[C@@H]1CC[C@H](c3nc(C4CC4)no3)O1)C2.
What is the InChIKey of N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is ZEQFAHFSPHHKKM-GGUZCGDUSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-4-17-11-14(5-6-15(17)3-1)12-22-13-18-9-10-19(25-18)21-23-20(24-26-21)16-7-8-16/h1-4,14,16,18-19,22H,5-13H2/t14?,18-,19+/m0/s1.
What are the key properties of N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 353.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 138057418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).