1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea

C11H17N3O2 — CID 103947062

IUPAC1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC2CCC2)o1
InChIInChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-11(15)14-9-4-3-5-9/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyXZEHTEBDXJEHAV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.90
Rot. Bonds3

About 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea

1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea (PubChem CID 103947062) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
PubChem CID103947062
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC2CCC2)o1
InChIInChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-11(15)14-9-4-3-5-9/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyXZEHTEBDXJEHAV-UHFFFAOYSA-N
XLogP1.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
CID 103946435
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-2-carboxamide
CID 114182398
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003208
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388098
(2S)-4-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 114182493
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 106389432
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea (CID 103947062) is 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea is Cc1cnc(C(C)NC(=O)NC2CCC2)o1.
What is the InChIKey of 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea?
The InChIKey is XZEHTEBDXJEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-6-12-10(16-7)8(2)13-11(15)14-9-4-3-5-9/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea?
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea has a molecular weight of 223.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea is sourced from PubChem (CID 103947062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).