(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine

C18H25N3O2 — CID 129474459

IUPAC(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)o1
InChIInChI=1S/C18H25N3O2/c1-12-10-14(12)16-6-5-13(23-16)11-20-15-4-3-9-22-17(15)18-19-7-8-21(18)2/h5-8,12,14-15,17,20H,3-4,9-11H2,1-2H3/t12-,14+,15+,17+/m1/s1
InChIKeyMXVXYNCQDKWJJF-DYWXZXKOSA-N
MW315.42 g/mol
LogP3.15
Rot. Bonds5

About (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine

(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine (PubChem CID 129474459) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
PubChem CID129474459
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)o1
InChIInChI=1S/C18H25N3O2/c1-12-10-14(12)16-6-5-13(23-16)11-20-15-4-3-9-22-17(15)18-19-7-8-21(18)2/h5-8,12,14-15,17,20H,3-4,9-11H2,1-2H3/t12-,14+,15+,17+/m1/s1
InChIKeyMXVXYNCQDKWJJF-DYWXZXKOSA-N
XLogP3.15
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
CID 129400618
(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129001673
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-2-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128991372
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
CID 154738050
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128996194
(2S,3S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128992415
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129001372
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]oxolan-3-amine
CID 115335826
(2S,3S)-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128993709

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The IUPAC name of (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine (CID 129474459) is (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine.
What is the SMILES notation for (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The canonical SMILES for (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine is C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)o1.
What is the InChIKey of (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The InChIKey is MXVXYNCQDKWJJF-DYWXZXKOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-14(12)16-6-5-13(23-16)11-20-15-4-3-9-22-17(15)18-19-7-8-21(18)2/h5-8,12,14-15,17,20H,3-4,9-11H2,1-2H3/t12-,14+,15+,17+/m1/s1.
What are the key properties of (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine has a molecular weight of 315.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine is sourced from PubChem (CID 129474459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).