1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea

C9H13N3O2 — CID 115672499

IUPAC1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea
SMILESCc1coc(NC(=O)NC2CCC2)n1
InChIInChI=1S/C9H13N3O2/c1-6-5-14-9(10-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyXBIDJURKFCHYLR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.66
Rot. Bonds2

About 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea

1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea (PubChem CID 115672499) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea
PubChem CID115672499
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea
SMILESCc1coc(NC(=O)NC2CCC2)n1
InChIInChI=1S/C9H13N3O2/c1-6-5-14-9(10-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyXBIDJURKFCHYLR-UHFFFAOYSA-N
XLogP1.66
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
CID 116658027
N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
CID 115671093
1-cyclopentyl-3-[(2-methyl-1,3-oxazol-4-yl)methyl]urea
CID 110747533
1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116658005
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 21323611
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
CID 138692159
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxycyclohexyl)urea
CID 47433405
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea (CID 115672499) is 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea is Cc1coc(NC(=O)NC2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea?
The InChIKey is XBIDJURKFCHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-5-14-9(10-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea?
1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea has a molecular weight of 195.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 115672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).