(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine

C17H25N3O2 — CID 129476158

IUPAC(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESC[C@@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-11-21-14)19-15-6-4-12-22-16(15)17-18-9-10-20(17)2/h3,5,9-11,13,15-16,19H,4,6-8,12H2,1-2H3/t13-,15-,16-/m0/s1
InChIKeyYOVOPWVKLPUURD-BPUTZDHNSA-N
MW303.41 g/mol
LogP2.84
Rot. Bonds6

About (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine

(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine (PubChem CID 129476158) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
PubChem CID129476158
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESC[C@@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-11-21-14)19-15-6-4-12-22-16(15)17-18-9-10-20(17)2/h3,5,9-11,13,15-16,19H,4,6-8,12H2,1-2H3/t13-,15-,16-/m0/s1
InChIKeyYOVOPWVKLPUURD-BPUTZDHNSA-N
XLogP2.84
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]oxan-3-amine
CID 129400645
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
CID 129341563
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 129475680
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-N-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-2-(1-ethylimidazol-2-yl)oxan-3-amine
CID 129400634
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]oxan-3-amine
CID 128973094
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129474459
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The IUPAC name of (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine (CID 129476158) is (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine is C[C@@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The InChIKey is YOVOPWVKLPUURD-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-11-21-14)19-15-6-4-12-22-16(15)17-18-9-10-20(17)2/h3,5,9-11,13,15-16,19H,4,6-8,12H2,1-2H3/t13-,15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine has a molecular weight of 303.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine is sourced from PubChem (CID 129476158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).