1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea

C17H29N3O2 — CID 108812118

IUPAC1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCCCCCCCCC2)no1
InChIInChI=1S/C17H29N3O2/c1-14-13-16(20-22-14)19-17(21)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12H2,1H3,(H2,18,19,20,21)
InChIKeyMJZQXYCIGFTZKJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.78
Rot. Bonds2

About 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea

1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812118) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812118
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCCCCCCCCC2)no1
InChIInChI=1S/C17H29N3O2/c1-14-13-16(20-22-14)19-17(21)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12H2,1H3,(H2,18,19,20,21)
InChIKeyMJZQXYCIGFTZKJ-UHFFFAOYSA-N
XLogP4.78
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-(1-cyclopropylpiperidin-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18144085
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
cis-methyl (1R,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]cycloheptane-1-carboxylate
CID 96540969
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812118) is 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NC2CCCCCCCCCCC2)no1.
What is the InChIKey of 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is MJZQXYCIGFTZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14-13-16(20-22-14)19-17(21)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 307.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).