1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

C13H24N4O3 — CID 111566574

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CCO)c1noc(C)n1
InChIInChI=1S/C13H24N4O3/c1-5-10(11-15-9(2)20-17-11)16-12(19)14-8-13(3,4)6-7-18/h10,18H,5-8H2,1-4H3,(H2,14,16,19)
InChIKeyLZTJITDCIYZIKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.54
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 111566574) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID111566574
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(C)CCO)c1noc(C)n1
InChIInChI=1S/C13H24N4O3/c1-5-10(11-15-9(2)20-17-11)16-12(19)14-8-13(3,4)6-7-18/h10,18H,5-8H2,1-4H3,(H2,14,16,19)
InChIKeyLZTJITDCIYZIKV-UHFFFAOYSA-N
XLogP1.54
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566439
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 97330137
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
(2R)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-dithiane-2-carboxamide
CID 99775105
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97242045

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 111566574) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NCC(C)(C)CCO)c1noc(C)n1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is LZTJITDCIYZIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-5-10(11-15-9(2)20-17-11)16-12(19)14-8-13(3,4)6-7-18/h10,18H,5-8H2,1-4H3,(H2,14,16,19).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 284.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 111566574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).