1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea

C17H23N3O3 — CID 110923051

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
SMILESCCN(CCO)C(=O)NCCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O3/c1-3-20(10-11-21)17(22)18-9-8-15-12-23-16(19-15)14-6-4-13(2)5-7-14/h4-7,12,21H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyWHBZMHBPVNWAKN-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds7

About 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea (PubChem CID 110923051) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
PubChem CID110923051
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
SMILESCCN(CCO)C(=O)NCCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O3/c1-3-20(10-11-21)17(22)18-9-8-15-12-23-16(19-15)14-6-4-13(2)5-7-14/h4-7,12,21H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyWHBZMHBPVNWAKN-UHFFFAOYSA-N
XLogP2.22
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 111455113
ethyl N-[3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylamino]-3-oxopropyl]carbamate
CID 51105748
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1-carboximidamide
CID 110934843
1,1-diethyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111095161
1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 110895113
ethyl 1-[N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157226
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180426
1-(2-hydroxy-4-methylpentyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923046
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
N,N-diethyl-3-[[ethylamino-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111942342
N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119765994
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111713166

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea (CID 110923051) is 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea is CCN(CCO)C(=O)NCCc1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea?
The InChIKey is WHBZMHBPVNWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-20(10-11-21)17(22)18-9-8-15-12-23-16(19-15)14-6-4-13(2)5-7-14/h4-7,12,21H,3,8-11H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea is sourced from PubChem (CID 110923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).