1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C15H13N3O3 — CID 110411881

IUPAC1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H13N3O3/c19-14(16-9-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)21-15(20)18-12/h1-8H,9H2,(H,18,20)(H2,16,17,19)
InChIKeyYDMVUCKPSSUVSP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.44
Rot. Bonds3

About 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 110411881) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID110411881
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H13N3O3/c19-14(16-9-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)21-15(20)18-12/h1-8H,9H2,(H,18,20)(H2,16,17,19)
InChIKeyYDMVUCKPSSUVSP-UHFFFAOYSA-N
XLogP2.44
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019994
1-(2-bromophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 50796687
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 110411881) is 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is O=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is YDMVUCKPSSUVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(16-9-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)21-15(20)18-12/h1-8H,9H2,(H,18,20)(H2,16,17,19).
What are the key properties of 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 283.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 110411881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).