1-cycloheptyl-3-(1,2-oxazol-3-yl)urea

C11H17N3O2 — CID 108811981

IUPAC1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccon1)NC1CCCCCC1
InChIInChI=1S/C11H17N3O2/c15-11(13-10-7-8-16-14-10)12-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyWRDKRFVBYUVNES-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.52
Rot. Bonds2

About 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea

1-cycloheptyl-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811981) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
PubChem CID108811981
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1ccon1)NC1CCCCCC1
InChIInChI=1S/C11H17N3O2/c15-11(13-10-7-8-16-14-10)12-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyWRDKRFVBYUVNES-UHFFFAOYSA-N
XLogP2.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-3-yl)cyclopentanecarboxamide
CID 17218146
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404741
(2S)-2-cyclopentyl-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 142922852
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 164651421

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea (CID 108811981) is 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea is O=C(Nc1ccon1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea?
The InChIKey is WRDKRFVBYUVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(13-10-7-8-16-14-10)12-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15).
What are the key properties of 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea?
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea has a molecular weight of 223.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).