1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea

C21H31N3O3 — CID 126792824

IUPAC1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea
SMILESCCCC1CCC(N(C)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1
InChIInChI=1S/C21H31N3O3/c1-4-6-16-9-11-17(12-10-16)23(3)20(25)22-18-7-5-8-19(15(18)2)24-13-14-27-21(24)26/h5,7-8,16-17H,4,6,9-14H2,1-3H3,(H,22,25)
InChIKeyAUOIKQCEERPNKX-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.77
Rot. Bonds5

About 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea

1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea (PubChem CID 126792824) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea
PubChem CID126792824
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea
SMILESCCCC1CCC(N(C)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1
InChIInChI=1S/C21H31N3O3/c1-4-6-16-9-11-17(12-10-16)23(3)20(25)22-18-7-5-8-19(15(18)2)24-13-14-27-21(24)26/h5,7-8,16-17H,4,6,9-14H2,1-3H3,(H,22,25)
InChIKeyAUOIKQCEERPNKX-UHFFFAOYSA-N
XLogP4.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea?
The IUPAC name of 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea (CID 126792824) is 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea.
What is the SMILES notation for 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea?
The canonical SMILES for 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea is CCCC1CCC(N(C)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1.
What is the InChIKey of 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea?
The InChIKey is AUOIKQCEERPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-6-16-9-11-17(12-10-16)23(3)20(25)22-18-7-5-8-19(15(18)2)24-13-14-27-21(24)26/h5,7-8,16-17H,4,6,9-14H2,1-3H3,(H,22,25).
What are the key properties of 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea?
1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea has a molecular weight of 373.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4-propylcyclohexyl)urea is sourced from PubChem (CID 126792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).