6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

C14H17N3O4 — CID 90097514

IUPAC6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESNC[C@H]1CN(c2ccc(C3CNC(=O)CO3)cc2)C(=O)O1
InChIInChI=1S/C14H17N3O4/c15-5-11-7-17(14(19)21-11)10-3-1-9(2-4-10)12-6-16-13(18)8-20-12/h1-4,11-12H,5-8,15H2,(H,16,18)/t11-,12?/m0/s1
InChIKeyCOZHAHIZHXFOKV-PXYINDEMSA-N
MW291.31 g/mol
LogP0.16
Rot. Bonds3

About 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 90097514) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID90097514
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESNC[C@H]1CN(c2ccc(C3CNC(=O)CO3)cc2)C(=O)O1
InChIInChI=1S/C14H17N3O4/c15-5-11-7-17(14(19)21-11)10-3-1-9(2-4-10)12-6-16-13(18)8-20-12/h1-4,11-12H,5-8,15H2,(H,16,18)/t11-,12?/m0/s1
InChIKeyCOZHAHIZHXFOKV-PXYINDEMSA-N
XLogP0.16
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-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-[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
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
(5S)-5-(aminomethyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 67539306
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (CID 90097514) is 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is NC[C@H]1CN(c2ccc(C3CNC(=O)CO3)cc2)C(=O)O1.
What is the InChIKey of 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is COZHAHIZHXFOKV-PXYINDEMSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-5-11-7-17(14(19)21-11)10-3-1-9(2-4-10)12-6-16-13(18)8-20-12/h1-4,11-12H,5-8,15H2,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 291.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 90097514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).