4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one

C50H55F3N2O10 — CID 159570051

IUPAC4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C(=O)N2C(=O)OCC2Cc2ccccc2)C2(O)CCCCC2)cc1.O=C1OCC(Cc2ccccc2)N1C(=O)C(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C25H26F3NO5.C25H29NO5/c26-25(27,28)34-20-11-7-10-18(15-20)21(24(32)12-5-2-6-13-24)22(30)29-19(16-33-23(29)31)14-17-8-3-1-4-9-17;1-30-21-12-10-19(11-13-21)22(25(29)14-6-3-7-15-25)23(27)26-20(17-31-24(26)28)16-18-8-4-2-5-9-18/h1,3-4,7-11,15,19,21,32H,2,5-6,12-14,16H2;2,4-5,8-13,20,22,29H,3,6-7,14-17H2,1H3
InChIKeyMHRTZECYQCKJPC-UHFFFAOYSA-N
MW900.99 g/mol
LogP9.02
Rot. Bonds12

About 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 159570051) has the molecular formula C50H55F3N2O10 and a molecular weight of 900.99 g/mol. Its IUPAC name is 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
PubChem CID159570051
Molecular FormulaC50H55F3N2O10
Molecular Weight900.99 g/mol
Exact Mass900.38
IUPAC Name4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C(=O)N2C(=O)OCC2Cc2ccccc2)C2(O)CCCCC2)cc1.O=C1OCC(Cc2ccccc2)N1C(=O)C(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C25H26F3NO5.C25H29NO5/c26-25(27,28)34-20-11-7-10-18(15-20)21(24(32)12-5-2-6-13-24)22(30)29-19(16-33-23(29)31)14-17-8-3-1-4-9-17;1-30-21-12-10-19(11-13-21)22(25(29)14-6-3-7-15-25)23(27)26-20(17-31-24(26)28)16-18-8-4-2-5-9-18/h1,3-4,7-11,15,19,21,32H,2,5-6,12-14,16H2;2,4-5,8-13,20,22,29H,3,6-7,14-17H2,1H3
InChIKeyMHRTZECYQCKJPC-UHFFFAOYSA-N
XLogP9.02
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.99
LogP ≤ 59.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one (CID 159570051) is 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one is COc1ccc(C(C(=O)N2C(=O)OCC2Cc2ccccc2)C2(O)CCCCC2)cc1.O=C1OCC(Cc2ccccc2)N1C(=O)C(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1.
What is the InChIKey of 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is MHRTZECYQCKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO5.C25H29NO5/c26-25(27,28)34-20-11-7-10-18(15-20)21(24(32)12-5-2-6-13-24)22(30)29-19(16-33-23(29)31)14-17-8-3-1-4-9-17;1-30-21-12-10-19(11-13-21)22(25(29)14-6-3-7-15-25)23(27)26-20(17-31-24(26)28)16-18-8-4-2-5-9-18/h1,3-4,7-11,15,19,21,32H,2,5-6,12-14,16H2;2,4-5,8-13,20,22,29H,3,6-7,14-17H2,1H3.
What are the key properties of 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 900.99 g/mol, XLogP of 9.02, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one;4-benzyl-3-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159570051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).