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

C13H24N4O3 — CID 111121157

IUPAC1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCCc1nc(C)no1
InChIInChI=1S/C13H24N4O3/c1-5-9(2)13(4,19)8-15-12(18)14-7-6-11-16-10(3)17-20-11/h9,19H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyAGHJCQAQNQYXHN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.02
Rot. Bonds7

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

1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 111121157) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID111121157
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCCc1nc(C)no1
InChIInChI=1S/C13H24N4O3/c1-5-9(2)13(4,19)8-15-12(18)14-7-6-11-16-10(3)17-20-11/h9,19H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyAGHJCQAQNQYXHN-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
2-iodo-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 89148487
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106420645
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
2,2-dimethyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106419385
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 111121157) is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is CCC(C)C(C)(O)CNC(=O)NCCc1nc(C)no1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is AGHJCQAQNQYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-5-9(2)13(4,19)8-15-12(18)14-7-6-11-16-10(3)17-20-11/h9,19H,5-8H2,1-4H3,(H2,14,15,18).
What are the key properties of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 284.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 111121157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).