1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea

C17H21N3O2 — CID 72886720

IUPAC1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCN(C(=O)Nc1cccc(-c2cnco2)c1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(15-8-3-2-4-9-15)17(21)19-14-7-5-6-13(10-14)16-11-18-12-22-16/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyIUCVZIIJZATNIX-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.14
Rot. Bonds3

About 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea

1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 72886720) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID72886720
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCN(C(=O)Nc1cccc(-c2cnco2)c1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(15-8-3-2-4-9-15)17(21)19-14-7-5-6-13(10-14)16-11-18-12-22-16/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyIUCVZIIJZATNIX-UHFFFAOYSA-N
XLogP4.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea (CID 72886720) is 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea is CN(C(=O)Nc1cccc(-c2cnco2)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is IUCVZIIJZATNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(15-8-3-2-4-9-15)17(21)19-14-7-5-6-13(10-14)16-11-18-12-22-16/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21).
What are the key properties of 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 299.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 72886720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).