benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C30H29N5O10S — CID 88595303

About benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 88595303) has the molecular formula C30H29N5O10S and a molecular weight of 651.65 g/mol. Its IUPAC name is benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• PubChem CID: 88595303
• Molecular Formula: C30H29N5O10S
• Molecular Weight: 651.65 g/mol
• Exact Mass: 651.16
• IUPAC Name: benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• SMILES: CO/N=C(\C(=O)NC1(COC(C)=O)CON(C2(C(=O)OC(c3ccccc3)c3ccccc3)CCC(=O)O2)C1=O)c1csc(N)n1
• InChI: InChI=1S/C30H29N5O10S/c1-18(36)42-16-29(33-25(38)23(34-41-2)21-15-46-28(31)32-21)17-43-35(26(29)39)30(14-13-22(37)45-30)27(40)44-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,24H,13-14,16-17H2,1-2H3,(H2,31,32)(H,33,38)/b34-23-
• InChIKey: PTKXDPYQZOXPFS-XSVYLIDLSA-N
• XLogP: 1.63
• TPSA: 198.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.65
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The IUPAC name of benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 88595303) is benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

What is the SMILES notation for benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The canonical SMILES for benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CO/N=C(\C(=O)NC1(COC(C)=O)CON(C2(C(=O)OC(c3ccccc3)c3ccccc3)CCC(=O)O2)C1=O)c1csc(N)n1.

What is the InChIKey of benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The InChIKey is PTKXDPYQZOXPFS-XSVYLIDLSA-N. The full InChI is InChI=1S/C30H29N5O10S/c1-18(36)42-16-29(33-25(38)23(34-41-2)21-15-46-28(31)32-21)17-43-35(26(29)39)30(14-13-22(37)45-30)27(40)44-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,24H,13-14,16-17H2,1-2H3,(H2,31,32)(H,33,38)/b34-23-.

What are the key properties of benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 651.65 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzhydryl 2-[4-(acetyloxymethyl)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 88595303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).