1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

C12H21N3O3 — CID 111474136

IUPAC1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)NCCO)on1
InChIInChI=1S/C12H21N3O3/c1-3-9(4-2)11-7-10(18-15-11)8-14-12(17)13-5-6-16/h7,9,16H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyLOLKAUSCQLUELO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.37
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 111474136) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID111474136
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)NCCO)on1
InChIInChI=1S/C12H21N3O3/c1-3-9(4-2)11-7-10(18-15-11)8-14-12(17)13-5-6-16/h7,9,16H,3-6,8H2,1-2H3,(H2,13,14,17)
InChIKeyLOLKAUSCQLUELO-UHFFFAOYSA-N
XLogP1.37
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
CID 65017758
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
2-methyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111675459
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989910
2,2-dimethyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111676454
4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 119335443
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71990377
4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 119804378
2-methyl-1-(2-methylsulfonylethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111675400

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (CID 111474136) is 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is CCC(CC)c1cc(CNC(=O)NCCO)on1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is LOLKAUSCQLUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-9(4-2)11-7-10(18-15-11)8-14-12(17)13-5-6-16/h7,9,16H,3-6,8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 255.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 111474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).