(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine

C15H27N3O2 — CID 71607139

IUPAC(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCO[C@@H]1OC[C@H](C(C)C)N1[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)12-9-20-15(19-6)18(12)13(11(3)4)14-16-7-8-17(14)5/h7-8,10-13,15H,9H2,1-6H3/t12-,13-,15-/m1/s1
InChIKeyOXGOJMOGQXJKRM-UMVBOHGHSA-N
MW281.40 g/mol
LogP2.40
Rot. Bonds5

About (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine

(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine (PubChem CID 71607139) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
PubChem CID71607139
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCO[C@@H]1OC[C@H](C(C)C)N1[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)12-9-20-15(19-6)18(12)13(11(3)4)14-16-7-8-17(14)5/h7-8,10-13,15H,9H2,1-6H3/t12-,13-,15-/m1/s1
InChIKeyOXGOJMOGQXJKRM-UMVBOHGHSA-N
XLogP2.40
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine (CID 71607139) is (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine is CO[C@@H]1OC[C@H](C(C)C)N1[C@@H](c1nccn1C)C(C)C.
What is the InChIKey of (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is OXGOJMOGQXJKRM-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)12-9-20-15(19-6)18(12)13(11(3)4)14-16-7-8-17(14)5/h7-8,10-13,15H,9H2,1-6H3/t12-,13-,15-/m1/s1.
What are the key properties of (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
(2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 281.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 71607139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).