3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C17H24N2O4 — CID 97306715

IUPAC3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H24N2O4/c1-13(18-8-7-17(2)22-11-12-23-17)14-3-5-15(6-4-14)19-9-10-21-16(19)20/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1
InChIKeySCCHBNUXQZBTQY-ZDUSSCGKSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds6

About 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97306715) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97306715
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H24N2O4/c1-13(18-8-7-17(2)22-11-12-23-17)14-3-5-15(6-4-14)19-9-10-21-16(19)20/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1
InChIKeySCCHBNUXQZBTQY-ZDUSSCGKSA-N
XLogP2.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295265
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
3-[4-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97088424
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 75497970
4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
CID 71990931
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
CID 164875438
1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60545573
3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95586363
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 175895706
3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230406
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97306715) is 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H](NCCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SCCHBNUXQZBTQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(18-8-7-17(2)22-11-12-23-17)14-3-5-15(6-4-14)19-9-10-21-16(19)20/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97306715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).