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

C22H31N3O2 — CID 108812610

IUPAC1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H31N3O2/c26-22(23-19-15-11-6-4-2-1-3-5-7-12-16-19)24-21-17-20(27-25-21)18-13-9-8-10-14-18/h8-10,13-14,17,19H,1-7,11-12,15-16H2,(H2,23,24,25,26)
InChIKeyYHWHKNSJAGLODH-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.14
Rot. Bonds3

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

1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812610) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812610
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(-c2ccccc2)on1)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H31N3O2/c26-22(23-19-15-11-6-4-2-1-3-5-7-12-16-19)24-21-17-20(27-25-21)18-13-9-8-10-14-18/h8-10,13-14,17,19H,1-7,11-12,15-16H2,(H2,23,24,25,26)
InChIKeyYHWHKNSJAGLODH-UHFFFAOYSA-N
XLogP6.14
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
trans-(1S,2S)-N-methyl-2-[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]cyclohexane-1-carboxamide
CID 100654792
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea
CID 162798652
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812610) is 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(Nc1cc(-c2ccccc2)on1)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is YHWHKNSJAGLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-22(23-19-15-11-6-4-2-1-3-5-7-12-16-19)24-21-17-20(27-25-21)18-13-9-8-10-14-18/h8-10,13-14,17,19H,1-7,11-12,15-16H2,(H2,23,24,25,26).
What are the key properties of 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 369.51 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).