1-(1,3-benzoxazol-5-yl)-3-benzylurea

C15H13N3O2 — CID 110748624

IUPAC1-(1,3-benzoxazol-5-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc2ocnc2c1
InChIInChI=1S/C15H13N3O2/c19-15(16-9-11-4-2-1-3-5-11)18-12-6-7-14-13(8-12)17-10-20-14/h1-8,10H,9H2,(H2,16,18,19)
InChIKeyCDXHKYBGMDXZPE-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.15
Rot. Bonds3

About 1-(1,3-benzoxazol-5-yl)-3-benzylurea

1-(1,3-benzoxazol-5-yl)-3-benzylurea (PubChem CID 110748624) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-5-yl)-3-benzylurea.

Molecular Properties

Compound Name1-(1,3-benzoxazol-5-yl)-3-benzylurea
PubChem CID110748624
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(1,3-benzoxazol-5-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc2ocnc2c1
InChIInChI=1S/C15H13N3O2/c19-15(16-9-11-4-2-1-3-5-11)18-12-6-7-14-13(8-12)17-10-20-14/h1-8,10H,9H2,(H2,16,18,19)
InChIKeyCDXHKYBGMDXZPE-UHFFFAOYSA-N
XLogP3.15
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide
CID 110728649
N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112525477
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
CID 59023753
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
benzyl N-(1,3-benzoxazol-6-yl)carbamate
CID 110728886
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-5-yl)-3-benzylurea?
The IUPAC name of 1-(1,3-benzoxazol-5-yl)-3-benzylurea (CID 110748624) is 1-(1,3-benzoxazol-5-yl)-3-benzylurea.
What is the SMILES notation for 1-(1,3-benzoxazol-5-yl)-3-benzylurea?
The canonical SMILES for 1-(1,3-benzoxazol-5-yl)-3-benzylurea is O=C(NCc1ccccc1)Nc1ccc2ocnc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-5-yl)-3-benzylurea?
The InChIKey is CDXHKYBGMDXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(16-9-11-4-2-1-3-5-11)18-12-6-7-14-13(8-12)17-10-20-14/h1-8,10H,9H2,(H2,16,18,19).
What are the key properties of 1-(1,3-benzoxazol-5-yl)-3-benzylurea?
1-(1,3-benzoxazol-5-yl)-3-benzylurea has a molecular weight of 267.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-5-yl)-3-benzylurea is sourced from PubChem (CID 110748624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).