3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one

C19H25N3O3 — CID 97088424

IUPAC3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-14(20-13-17(21(2)3)18-5-4-11-24-18)15-6-8-16(9-7-15)22-10-12-25-19(22)23/h4-9,11,14,17,20H,10,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyJHZYZYGDMAGESL-RHSMWYFYSA-N
MW343.43 g/mol
LogP3.19
Rot. Bonds7

About 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97088424) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97088424
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-14(20-13-17(21(2)3)18-5-4-11-24-18)15-6-8-16(9-7-15)22-10-12-25-19(22)23/h4-9,11,14,17,20H,10,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyJHZYZYGDMAGESL-RHSMWYFYSA-N
XLogP3.19
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97088424) is 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JHZYZYGDMAGESL-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(20-13-17(21(2)3)18-5-4-11-24-18)15-6-8-16(9-7-15)22-10-12-25-19(22)23/h4-9,11,14,17,20H,10,12-13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97088424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).