1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea

C15H26N4O2 — CID 119068258

IUPAC1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)N(CC)Cc1noc(C2CCC2)n1
InChIInChI=1S/C15H26N4O2/c1-4-11(3)9-16-15(20)19(5-2)10-13-17-14(21-18-13)12-7-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyGWSMGLJHQVXLMC-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.91
Rot. Bonds7

About 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea (PubChem CID 119068258) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea.

Molecular Properties

Compound Name1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
PubChem CID119068258
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)N(CC)Cc1noc(C2CCC2)n1
InChIInChI=1S/C15H26N4O2/c1-4-11(3)9-16-15(20)19(5-2)10-13-17-14(21-18-13)12-7-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyGWSMGLJHQVXLMC-UHFFFAOYSA-N
XLogP2.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
CID 126430063
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 119063058
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-sulfamoylbenzamide
CID 77090358
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
CID 72895206
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 29023984
(2R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 95729325
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-cyclopropylacetamide
CID 91838899
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea?
The IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea (CID 119068258) is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea.
What is the SMILES notation for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea?
The canonical SMILES for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea is CCC(C)CNC(=O)N(CC)Cc1noc(C2CCC2)n1.
What is the InChIKey of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea?
The InChIKey is GWSMGLJHQVXLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-11(3)9-16-15(20)19(5-2)10-13-17-14(21-18-13)12-7-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea?
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea is sourced from PubChem (CID 119068258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).