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

C18H27N3O2 — CID 129400622

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)CCc1ccco1
InChIInChI=1S/C18H27N3O2/c1-3-21-11-10-19-18(21)17-16(7-5-13-23-17)20-14(2)8-9-15-6-4-12-22-15/h4,6,10-12,14,16-17,20H,3,5,7-9,13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyUOASRCUBLQPXAY-PVAVHDDUSA-N
MW317.43 g/mol
LogP3.33
Rot. Bonds7

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

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine (PubChem CID 129400622) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
PubChem CID129400622
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)CCc1ccco1
InChIInChI=1S/C18H27N3O2/c1-3-21-11-10-19-18(21)17-16(7-5-13-23-17)20-14(2)8-9-15-6-4-12-22-15/h4,6,10-12,14,16-17,20H,3,5,7-9,13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyUOASRCUBLQPXAY-PVAVHDDUSA-N
XLogP3.33
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129476158
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]oxan-3-amine
CID 129400645
(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-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
CID 124620783
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]oxan-3-amine
CID 129400637
(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)-2-(1-ethylimidazol-2-yl)-N-[3-(4-fluorophenyl)cyclobutyl]oxan-3-amine
CID 129001362
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 136581065
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine (CID 129400622) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)CCc1ccco1.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine?
The InChIKey is UOASRCUBLQPXAY-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-21-11-10-19-18(21)17-16(7-5-13-23-17)20-14(2)8-9-15-6-4-12-22-15/h4,6,10-12,14,16-17,20H,3,5,7-9,13H2,1-2H3/t14-,16+,17+/m1/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine has a molecular weight of 317.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine is sourced from PubChem (CID 129400622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).