(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride

C38H47ClF2N6O11 — CID 157088479

About (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride

(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 157088479) has the molecular formula C38H47ClF2N6O11 and a molecular weight of 837.27 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride
• PubChem CID: 157088479
• Molecular Formula: C38H47ClF2N6O11
• Molecular Weight: 837.27 g/mol
• Exact Mass: 836.30
• IUPAC Name: (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride
• SMILES: Cl.NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O=CC1CC1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O=CC1CC1C(=O)O
• InChI: InChI=1S/C19H22FN3O5.C14H18FN3O3.C5H6O3.ClH/c20-16-8-13(1-2-17(16)22-3-5-27-6-4-22)23-10-14(28-19(23)26)9-21-18(25)15-7-12(15)11-24;15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;6-2-3-1-4(3)5(7)8;/h1-2,8,11-12,14-15H,3-7,9-10H2,(H,21,25);1-2,7,11H,3-6,8-9,16H2;2-4H,1H2,(H,7,8);1H/t12?,14-,15?;11-;;/m00../s1
• InChIKey: HBRQKGHBPDQBGW-CWMLWGMDSA-N
• XLogP: 2.21
• TPSA: 210.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.27
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride?

The IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride (CID 157088479) is (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride.

What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride?

The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride is Cl.NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O=CC1CC1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O=CC1CC1C(=O)O.

What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride?

The InChIKey is HBRQKGHBPDQBGW-CWMLWGMDSA-N. The full InChI is InChI=1S/C19H22FN3O5.C14H18FN3O3.C5H6O3.ClH/c20-16-8-13(1-2-17(16)22-3-5-27-6-4-22)23-10-14(28-19(23)26)9-21-18(25)15-7-12(15)11-24;15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;6-2-3-1-4(3)5(7)8;/h1-2,8,11-12,14-15H,3-7,9-10H2,(H,21,25);1-2,7,11H,3-6,8-9,16H2;2-4H,1H2,(H,7,8);1H/t12?,14-,15?;11-;;/m00../s1.

What are the key properties of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride?

(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 837.27 g/mol, XLogP of 2.21, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide;2-formylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 157088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).