(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine

C20H23N3O3 — CID 129476076

IUPAC(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
SMILESCn1cncc1[C@H]1C[C@@H](NCc2ccc(Oc3ccccc3)o2)CCO1
InChIInChI=1S/C20H23N3O3/c1-23-14-21-13-18(23)19-11-15(9-10-24-19)22-12-17-7-8-20(26-17)25-16-5-3-2-4-6-16/h2-8,13-15,19,22H,9-12H2,1H3/t15-,19+/m0/s1
InChIKeyYFGUPTROBHZQHA-HNAYVOBHSA-N
MW353.42 g/mol
LogP3.82
Rot. Bonds6

About (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine

(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine (PubChem CID 129476076) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
PubChem CID129476076
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
SMILESCn1cncc1[C@H]1C[C@@H](NCc2ccc(Oc3ccccc3)o2)CCO1
InChIInChI=1S/C20H23N3O3/c1-23-14-21-13-18(23)19-11-15(9-10-24-19)22-12-17-7-8-20(26-17)25-16-5-3-2-4-6-16/h2-8,13-15,19,22H,9-12H2,1H3/t15-,19+/m0/s1
InChIKeyYFGUPTROBHZQHA-HNAYVOBHSA-N
XLogP3.82
TPSA61.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine?
The IUPAC name of (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine (CID 129476076) is (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine?
The canonical SMILES for (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine is Cn1cncc1[C@H]1C[C@@H](NCc2ccc(Oc3ccccc3)o2)CCO1.
What is the InChIKey of (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine?
The InChIKey is YFGUPTROBHZQHA-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23-14-21-13-18(23)19-11-15(9-10-24-19)22-12-17-7-8-20(26-17)25-16-5-3-2-4-6-16/h2-8,13-15,19,22H,9-12H2,1H3/t15-,19+/m0/s1.
What are the key properties of (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine?
(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine has a molecular weight of 353.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 129476076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).