(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

C10H10Cl2N2O2 — CID 42281775

IUPAC(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESNC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1
InChIInChI=1S/C10H10Cl2N2O2/c11-8-2-1-6(3-9(8)12)14-5-7(4-13)16-10(14)15/h1-3,7H,4-5,13H2/t7-/m1/s1
InChIKeyPFABXWUSYMTFTG-SSDOTTSWSA-N
MW261.11 g/mol
LogP2.28
Rot. Bonds2

About (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one

(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 42281775) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
PubChem CID42281775
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
SMILESNC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1
InChIInChI=1S/C10H10Cl2N2O2/c11-8-2-1-6(3-9(8)12)14-5-7(4-13)16-10(14)15/h1-3,7H,4-5,13H2/t7-/m1/s1
InChIKeyPFABXWUSYMTFTG-SSDOTTSWSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 104673307
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539302
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
CID 68916606
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one (CID 42281775) is (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is NC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is PFABXWUSYMTFTG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-8-2-1-6(3-9(8)12)14-5-7(4-13)16-10(14)15/h1-3,7H,4-5,13H2/t7-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one?
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 261.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 42281775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).