(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine

C17H20N4O — CID 128976373

IUPAC(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2[nH]ccc12
InChIInChI=1S/C17H20N4O/c1-21-9-8-19-17(21)16-15(6-10-22-16)20-11-12-3-2-4-14-13(12)5-7-18-14/h2-5,7-9,15-16,18,20H,6,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyUAMMACLYHPSMIN-HOTGVXAUSA-N
MW296.37 g/mol
LogP2.52
Rot. Bonds4

About (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine (PubChem CID 128976373) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
PubChem CID128976373
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2[nH]ccc12
InChIInChI=1S/C17H20N4O/c1-21-9-8-19-17(21)16-15(6-10-22-16)20-11-12-3-2-4-14-13(12)5-7-18-14/h2-5,7-9,15-16,18,20H,6,10-11H2,1H3/t15-,16-/m0/s1
InChIKeyUAMMACLYHPSMIN-HOTGVXAUSA-N
XLogP2.52
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-(1H-indol-7-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128965783
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
CID 113346334
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128996194
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129001372
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
CID 128976647
N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 62999891
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
(2S,3S)-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128993709
(2S,3S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128966874

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine (CID 128976373) is (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2[nH]ccc12.
What is the InChIKey of (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The InChIKey is UAMMACLYHPSMIN-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-9-8-19-17(21)16-15(6-10-22-16)20-11-12-3-2-4-14-13(12)5-7-18-14/h2-5,7-9,15-16,18,20H,6,10-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine has a molecular weight of 296.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 128976373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).