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

C14H25N3O — CID 134944339

IUPAC(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)12-8-18-9-17(12)13(11(3)4)14-15-6-7-16(14)5/h6-7,10-13H,8-9H2,1-5H3/t12-,13-/m1/s1
InChIKeySTDIRANNLXHGHG-CHWSQXEVSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds4

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

(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine (PubChem CID 134944339) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
PubChem CID134944339
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1[C@@H](c1nccn1C)C(C)C
InChIInChI=1S/C14H25N3O/c1-10(2)12-8-18-9-17(12)13(11(3)4)14-15-6-7-16(14)5/h6-7,10-13H,8-9H2,1-5H3/t12-,13-/m1/s1
InChIKeySTDIRANNLXHGHG-CHWSQXEVSA-N
XLogP2.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine (CID 134944339) is (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine is CC(C)[C@H]1COCN1[C@@H](c1nccn1C)C(C)C.
What is the InChIKey of (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is STDIRANNLXHGHG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)12-8-18-9-17(12)13(11(3)4)14-15-6-7-16(14)5/h6-7,10-13H,8-9H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine?
(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 251.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 134944339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).