1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea

C15H13N3O3 — CID 110775568

IUPAC1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1
InChIInChI=1S/C15H13N3O3/c19-14(17-11-4-2-1-3-5-11)16-9-10-6-7-13-12(8-10)18-15(20)21-13/h1-8H,9H2,(H,18,20)(H2,16,17,19)
InChIKeyXHQMUDNBBYMHAA-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea

1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea (PubChem CID 110775568) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
PubChem CID110775568
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1
InChIInChI=1S/C15H13N3O3/c19-14(17-11-4-2-1-3-5-11)16-9-10-6-7-13-12(8-10)18-15(20)21-13/h1-8H,9H2,(H,18,20)(H2,16,17,19)
InChIKeyXHQMUDNBBYMHAA-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

N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019994
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
1-(aminomethyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182711
1-[[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242954
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea (CID 110775568) is 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea is O=C(NCc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1.
What is the InChIKey of 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea?
The InChIKey is XHQMUDNBBYMHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(17-11-4-2-1-3-5-11)16-9-10-6-7-13-12(8-10)18-15(20)21-13/h1-8H,9H2,(H,18,20)(H2,16,17,19).
What are the key properties of 1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea?
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea 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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea is sourced from PubChem (CID 110775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).