1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

C18H19N3O4 — CID 111335653

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCn1c(=O)oc2cc(NC(=O)NCC(C)(O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-18(24,12-6-4-3-5-7-12)11-19-16(22)20-13-8-9-14-15(10-13)25-17(23)21(14)2/h3-10,24H,11H2,1-2H3,(H2,19,20,22)
InChIKeyAOMWWDSDGJPKAN-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.16
Rot. Bonds4

About 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 111335653) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID111335653
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCn1c(=O)oc2cc(NC(=O)NCC(C)(O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O4/c1-18(24,12-6-4-3-5-7-12)11-19-16(22)20-13-8-9-14-15(10-13)25-17(23)21(14)2/h3-10,24H,11H2,1-2H3,(H2,19,20,22)
InChIKeyAOMWWDSDGJPKAN-UHFFFAOYSA-N
XLogP2.16
TPSA96.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111474627
4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
CID 110608238
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111120714
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 111335653) is 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is Cn1c(=O)oc2cc(NC(=O)NCC(C)(O)c3ccccc3)ccc21.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is AOMWWDSDGJPKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(24,12-6-4-3-5-7-12)11-19-16(22)20-13-8-9-14-15(10-13)25-17(23)21(14)2/h3-10,24H,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 111335653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).