5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C55H60F12N10O7 — CID 172954236

About 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one

5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 172954236) has the molecular formula C55H60F12N10O7 and a molecular weight of 1201.12 g/mol. Its IUPAC name is 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 172954236
• Molecular Formula: C55H60F12N10O7
• Molecular Weight: 1201.12 g/mol
• Exact Mass: 1200.45
• IUPAC Name: 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CCN(c1ncc(-c2noc(=O)[nH]2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1.CCN(c1ncc(/C(N)=N/O)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1
• InChI: InChI=1S/C28H29F6N5O4.C27H31F6N5O3/c1-3-38(21-7-5-4-6-8-21)24-18(9-17(13-35-24)23-36-25(40)43-37-23)14-39-15(2)22(42-26(39)41)16-10-19(27(29,30)31)12-20(11-16)28(32,33)34;1-3-37(21-7-5-4-6-8-21)24-18(9-17(13-35-24)23(34)36-40)14-38-15(2)22(41-25(38)39)16-10-19(26(28,29)30)12-20(11-16)27(31,32)33/h9-13,15,21-22H,3-8,14H2,1-2H3,(H,36,37,40);9-13,15,21-22,40H,3-8,14H2,1-2H3,(H2,34,36)/t2*15-,22-/m00/s1
• InChIKey: ZCAWKQWNRQJTPA-IOJGDLAESA-N
• XLogP: 13.16
• TPSA: 208.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.12
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 172954236) is 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is CCN(c1ncc(-c2noc(=O)[nH]2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1.CCN(c1ncc(/C(N)=N/O)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C1CCCCC1.

What is the InChIKey of 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is ZCAWKQWNRQJTPA-IOJGDLAESA-N. The full InChI is InChI=1S/C28H29F6N5O4.C27H31F6N5O3/c1-3-38(21-7-5-4-6-8-21)24-18(9-17(13-35-24)23-36-25(40)43-37-23)14-39-15(2)22(42-26(39)41)16-10-19(27(29,30)31)12-20(11-16)28(32,33)34;1-3-37(21-7-5-4-6-8-21)24-18(9-17(13-35-24)23(34)36-40)14-38-15(2)22(41-25(38)39)16-10-19(26(28,29)30)12-20(11-16)27(31,32)33/h9-13,15,21-22H,3-8,14H2,1-2H3,(H,36,37,40);9-13,15,21-22,40H,3-8,14H2,1-2H3,(H2,34,36)/t2*15-,22-/m00/s1.

What are the key properties of 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 1201.12 g/mol, XLogP of 13.16, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide;3-[5-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-[cyclohexyl(ethyl)amino]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 172954236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).