5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one

C22H26FN3O3 — CID 90217035

IUPAC5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccccc1)[C@H](N)C1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H26FN3O3/c1-14(15-5-3-2-4-6-15)21(24)20-13-26(22(27)29-20)16-7-8-17(18(23)11-16)19-12-25-9-10-28-19/h2-8,11,14,19-21,25H,9-10,12-13,24H2,1H3/t14-,19?,20?,21-/m0/s1
InChIKeyKHYJTJFYKBEOGS-XGBHPCTLSA-N
MW399.47 g/mol
LogP2.94
Rot. Bonds5

About 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one

5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 90217035) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID90217035
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccccc1)[C@H](N)C1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H26FN3O3/c1-14(15-5-3-2-4-6-15)21(24)20-13-26(22(27)29-20)16-7-8-17(18(23)11-16)19-12-25-9-10-28-19/h2-8,11,14,19-21,25H,9-10,12-13,24H2,1H3/t14-,19?,20?,21-/m0/s1
InChIKeyKHYJTJFYKBEOGS-XGBHPCTLSA-N
XLogP2.94
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one (CID 90217035) is 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one is C[C@@H](c1ccccc1)[C@H](N)C1CN(c2ccc(C3CNCCO3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is KHYJTJFYKBEOGS-XGBHPCTLSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-14(15-5-3-2-4-6-15)21(24)20-13-26(22(27)29-20)16-7-8-17(18(23)11-16)19-12-25-9-10-28-19/h2-8,11,14,19-21,25H,9-10,12-13,24H2,1H3/t14-,19?,20?,21-/m0/s1.
What are the key properties of 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one?
5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 399.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-1-amino-2-phenylpropyl]-3-(3-fluoro-4-morpholin-2-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90217035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).