[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol

C15H21N3O3 — CID 128970916

IUPAC[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(CO)o1
InChIInChI=1S/C15H21N3O3/c1-2-18-7-6-16-15(18)14-13(5-8-20-14)17-9-11-3-4-12(10-19)21-11/h3-4,6-7,13-14,17,19H,2,5,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyXUMHMHAUUHEKKV-KBPBESRZSA-N
MW291.35 g/mol
LogP1.61
Rot. Bonds6

About [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol

[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol (PubChem CID 128970916) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
PubChem CID128970916
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(CO)o1
InChIInChI=1S/C15H21N3O3/c1-2-18-7-6-16-15(18)14-13(5-8-20-14)17-9-11-3-4-12(10-19)21-11/h3-4,6-7,13-14,17,19H,2,5,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyXUMHMHAUUHEKKV-KBPBESRZSA-N
XLogP1.61
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol (CID 128970916) is [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol is CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(CO)o1.
What is the InChIKey of [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol?
The InChIKey is XUMHMHAUUHEKKV-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-18-7-6-16-15(18)14-13(5-8-20-14)17-9-11-3-4-12(10-19)21-11/h3-4,6-7,13-14,17,19H,2,5,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol?
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 128970916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).