4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide

C35H42N4O4 — CID 126691795

About 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide

4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide (PubChem CID 126691795) has the molecular formula C35H42N4O4 and a molecular weight of 582.75 g/mol. Its IUPAC name is 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide
• PubChem CID: 126691795
• Molecular Formula: C35H42N4O4
• Molecular Weight: 582.75 g/mol
• Exact Mass: 582.32
• IUPAC Name: 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(C(N)=O)CC2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)OC(c2cc(C)cc(C)c2)C1C
• InChI: InChI=1S/C35H42N4O4/c1-21-16-22(2)18-27(17-21)33-23(3)39(35(41)43-33)20-30-28(11-13-32(37-30)38-14-5-15-38)29-19-26(10-12-31(29)42-4)24-6-8-25(9-7-24)34(36)40/h10-13,16-19,23-25,33H,5-9,14-15,20H2,1-4H3,(H2,36,40)
• InChIKey: KJYRGZVFVYFNKD-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 97.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.75
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide (CID 126691795) is 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(C(N)=O)CC2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)OC(c2cc(C)cc(C)c2)C1C.

What is the InChIKey of 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide?

The InChIKey is KJYRGZVFVYFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O4/c1-21-16-22(2)18-27(17-21)33-23(3)39(35(41)43-33)20-30-28(11-13-32(37-30)38-14-5-15-38)29-19-26(10-12-31(29)42-4)24-6-8-25(9-7-24)34(36)40/h10-13,16-19,23-25,33H,5-9,14-15,20H2,1-4H3,(H2,36,40).

What are the key properties of 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide?

4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide has a molecular weight of 582.75 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-(azetidin-1-yl)-2-[[5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126691795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).