(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one

C13H16N4O2 — CID 67539306

IUPAC(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(C3=NCCN3)cc2)C(=O)O1
InChIInChI=1S/C13H16N4O2/c14-7-11-8-17(13(18)19-11)10-3-1-9(2-4-10)12-15-5-6-16-12/h1-4,11H,5-8,14H2,(H,15,16)/t11-/m0/s1
InChIKeyZBBLNDDWDJWBDS-NSHDSACASA-N
MW260.30 g/mol
LogP0.32
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67539306) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID67539306
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(C3=NCCN3)cc2)C(=O)O1
InChIInChI=1S/C13H16N4O2/c14-7-11-8-17(13(18)19-11)10-3-1-9(2-4-10)12-15-5-6-16-12/h1-4,11H,5-8,14H2,(H,15,16)/t11-/m0/s1
InChIKeyZBBLNDDWDJWBDS-NSHDSACASA-N
XLogP0.32
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carbonitrile
CID 143191137
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 90097514
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-chloro-N-[[(5S)-3-(4-isocyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;5-chloro-N-[[(5S)-2-oxo-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;propane-1,3-diamine
CID 158011130
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one (CID 67539306) is (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(C3=NCCN3)cc2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZBBLNDDWDJWBDS-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O2/c14-7-11-8-17(13(18)19-11)10-3-1-9(2-4-10)12-15-5-6-16-12/h1-4,11H,5-8,14H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67539306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).