1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea

C17H23N3O3 — CID 111507637

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCCC(O)(CC)CNC(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O3/c1-3-17(22,4-2)12-19-16(21)18-10-14-11-23-15(20-14)13-8-6-5-7-9-13/h5-9,11,22H,3-4,10,12H2,1-2H3,(H2,18,19,21)
InChIKeyHRCNZYMLWVTKGE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.69
Rot. Bonds7

About 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea

1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 111507637) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID111507637
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCCC(O)(CC)CNC(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O3/c1-3-17(22,4-2)12-19-16(21)18-10-14-11-23-15(20-14)13-8-6-5-7-9-13/h5-9,11,22H,3-4,10,12H2,1-2H3,(H2,18,19,21)
InChIKeyHRCNZYMLWVTKGE-UHFFFAOYSA-N
XLogP2.69
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507638
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 100767874
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
CID 111432763
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
1-butyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552466

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (CID 111507637) is 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is CCC(O)(CC)CNC(=O)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is HRCNZYMLWVTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-17(22,4-2)12-19-16(21)18-10-14-11-23-15(20-14)13-8-6-5-7-9-13/h5-9,11,22H,3-4,10,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 111507637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).