(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one

C15H19ClN4O2 — CID 67539302

IUPAC(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN1CCN=C1c1ccc(N2C[C@H](CN)OC2=O)cc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-2-19-6-5-18-14(19)12-4-3-10(7-13(12)16)20-9-11(8-17)22-15(20)21/h3-4,7,11H,2,5-6,8-9,17H2,1H3/t11-/m0/s1
InChIKeyQDHLVRIYJONDKG-NSHDSACASA-N
MW322.80 g/mol
LogP1.71
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67539302) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID67539302
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN1CCN=C1c1ccc(N2C[C@H](CN)OC2=O)cc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-2-19-6-5-18-14(19)12-4-3-10(7-13(12)16)20-9-11(8-17)22-15(20)21/h3-4,7,11H,2,5-6,8-9,17H2,1H3/t11-/m0/s1
InChIKeyQDHLVRIYJONDKG-NSHDSACASA-N
XLogP1.71
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-chloro-N-[[(5S)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 25114283
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
(5S)-5-(aminomethyl)-3-(9H-fluoren-2-yl)-1,3-oxazolidin-2-one
CID 15858850
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 104673307
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one (CID 67539302) is (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one is CCN1CCN=C1c1ccc(N2C[C@H](CN)OC2=O)cc1Cl.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is QDHLVRIYJONDKG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-2-19-6-5-18-14(19)12-4-3-10(7-13(12)16)20-9-11(8-17)22-15(20)21/h3-4,7,11H,2,5-6,8-9,17H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 322.80 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-chloro-4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67539302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).