1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea

C13H15N3O3 — CID 108814077

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H15N3O3/c17-9-8-16(10-11-4-2-1-3-5-11)13(18)15-12-6-7-14-19-12/h1-7,17H,8-10H2,(H,15,18)
InChIKeyXGIWAOIZMHYGCW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.70
Rot. Bonds5

About 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea

1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814077) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108814077
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H15N3O3/c17-9-8-16(10-11-4-2-1-3-5-11)13(18)15-12-6-7-14-19-12/h1-7,17H,8-10H2,(H,15,18)
InChIKeyXGIWAOIZMHYGCW-UHFFFAOYSA-N
XLogP1.70
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoxazol-5-yl-N'-phenylurea
CID 2744683
N-isoxazol-5-yl-N'-(4-methylphenyl)urea
CID 2744684
1-(1,2-Oxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108813936
1-(1,2-Oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108814216
1-(1,2-Oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813927
1-[(4-Fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814150
1-[(2-Fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814166
1-[2-(4-Fluorophenyl)ethyl]-3-(1,2-oxazol-5-yl)urea
CID 108814178
1-[(3-Fluorophenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814234
1-[2-(2-Fluorophenyl)ethyl]-3-(1,2-oxazol-5-yl)urea
CID 108814240
1-[2-(3-Fluorophenyl)ethyl]-3-(1,2-oxazol-5-yl)urea
CID 108814245
3-[1-[4-(2-Methylpropyl)phenyl]ethyl]-1-(1,2-oxazol-5-yl)-1-sulfanylurea
CID 57081492

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea (CID 108814077) is 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccno1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is XGIWAOIZMHYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-8-16(10-11-4-2-1-3-5-11)13(18)15-12-6-7-14-19-12/h1-7,17H,8-10H2,(H,15,18).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea?
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 261.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).