3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one

C19H24N2O3 — CID 97230987

IUPAC3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1
InChIInChI=1S/C19H24N2O3/c1-12-10-18(15(4)24-12)14(3)20-13(2)16-6-5-7-17(11-16)21-8-9-23-19(21)22/h5-7,10-11,13-14,20H,8-9H2,1-4H3/t13-,14-/m1/s1
InChIKeyTUGFWRNVJDCNSB-ZIAGYGMSSA-N
MW328.41 g/mol
LogP4.26
Rot. Bonds5

About 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97230987) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97230987
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1
InChIInChI=1S/C19H24N2O3/c1-12-10-18(15(4)24-12)14(3)20-13(2)16-6-5-7-17(11-16)21-8-9-23-19(21)22/h5-7,10-11,13-14,20H,8-9H2,1-4H3/t13-,14-/m1/s1
InChIKeyTUGFWRNVJDCNSB-ZIAGYGMSSA-N
XLogP4.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97230987) is 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1.
What is the InChIKey of 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is TUGFWRNVJDCNSB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-10-18(15(4)24-12)14(3)20-13(2)16-6-5-7-17(11-16)21-8-9-23-19(21)22/h5-7,10-11,13-14,20H,8-9H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97230987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).