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

C17H25N3O2 — CID 129474767

IUPAC(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESC[C@H](CCc1ccco1)N[C@@H]1CCO[C@@H](c2cncn2C)C1
InChIInChI=1S/C17H25N3O2/c1-13(5-6-15-4-3-8-21-15)19-14-7-9-22-17(10-14)16-11-18-12-20(16)2/h3-4,8,11-14,17,19H,5-7,9-10H2,1-2H3/t13-,14-,17-/m1/s1
InChIKeyOHOBMVQCIJFSRK-CKEIUWERSA-N
MW303.41 g/mol
LogP2.84
Rot. Bonds6

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

(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 129474767) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID129474767
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESC[C@H](CCc1ccco1)N[C@@H]1CCO[C@@H](c2cncn2C)C1
InChIInChI=1S/C17H25N3O2/c1-13(5-6-15-4-3-8-21-15)19-14-7-9-22-17(10-14)16-11-18-12-20(16)2/h3-4,8,11-14,17,19H,5-7,9-10H2,1-2H3/t13-,14-,17-/m1/s1
InChIKeyOHOBMVQCIJFSRK-CKEIUWERSA-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

Analyze (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine with MolForge

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Related Compounds

(3R)-1-(azepan-1-yl)-3-[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]butan-1-one
CID 129331363
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
CID 129341563
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 124726359
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
CID 129476076
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 129474767) is (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is C[C@H](CCc1ccco1)N[C@@H]1CCO[C@@H](c2cncn2C)C1.
What is the InChIKey of (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is OHOBMVQCIJFSRK-CKEIUWERSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(5-6-15-4-3-8-21-15)19-14-7-9-22-17(10-14)16-11-18-12-20(16)2/h3-4,8,11-14,17,19H,5-7,9-10H2,1-2H3/t13-,14-,17-/m1/s1.
What are the key properties of (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-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 (2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 129474767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).