(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine

C18H25N3O3 — CID 129476009

IUPAC(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine
SMILESCOC[C@@H](Cc1ccccc1)NC[C@H]1CC[C@@H](c2nc(C)no2)O1
InChIInChI=1S/C18H25N3O3/c1-13-20-18(24-21-13)17-9-8-16(23-17)11-19-15(12-22-2)10-14-6-4-3-5-7-14/h3-7,15-17,19H,8-12H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyXVWWWOPGFPRQRH-ZACQAIPSSA-N
MW331.42 g/mol
LogP2.45
Rot. Bonds8

About (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine

(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine (PubChem CID 129476009) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine
PubChem CID129476009
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine
SMILESCOC[C@@H](Cc1ccccc1)NC[C@H]1CC[C@@H](c2nc(C)no2)O1
InChIInChI=1S/C18H25N3O3/c1-13-20-18(24-21-13)17-9-8-16(23-17)11-19-15(12-22-2)10-14-6-4-3-5-7-14/h3-7,15-17,19H,8-12H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyXVWWWOPGFPRQRH-ZACQAIPSSA-N
XLogP2.45
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine with MolForge

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Related Compounds

(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
CID 128994987
5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 128968332
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
CID 128973858
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129004563
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970524
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 154736814
(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
CID 129327937
[5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116743678
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
CID 128968376

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine (CID 129476009) is (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine is COC[C@@H](Cc1ccccc1)NC[C@H]1CC[C@@H](c2nc(C)no2)O1.
What is the InChIKey of (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine?
The InChIKey is XVWWWOPGFPRQRH-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-20-18(24-21-13)17-9-8-16(23-17)11-19-15(12-22-2)10-14-6-4-3-5-7-14/h3-7,15-17,19H,8-12H2,1-2H3/t15-,16-,17+/m1/s1.
What are the key properties of (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine?
(2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine has a molecular weight of 331.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-phenylpropan-2-amine is sourced from PubChem (CID 129476009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).