1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

C17H25N3O4 — CID 111115241

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESCCC(CC)C(O)CNC(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H25N3O4/c1-3-12(4-2)14(21)11-19-16(22)18-9-10-20-13-7-5-6-8-15(13)24-17(20)23/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyXGZXAUUXNVXIJP-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.69
Rot. Bonds8

About 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (PubChem CID 111115241) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
PubChem CID111115241
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESCCC(CC)C(O)CNC(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H25N3O4/c1-3-12(4-2)14(21)11-19-16(22)18-9-10-20-13-7-5-6-8-15(13)24-17(20)23/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyXGZXAUUXNVXIJP-UHFFFAOYSA-N
XLogP1.69
TPSA96.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111506042
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 71990219
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001120
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754
3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95802914
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (CID 111115241) is 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is CCC(CC)C(O)CNC(=O)NCCn1c(=O)oc2ccccc21.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The InChIKey is XGZXAUUXNVXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-12(4-2)14(21)11-19-16(22)18-9-10-20-13-7-5-6-8-15(13)24-17(20)23/h5-8,12,14,21H,3-4,9-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea has a molecular weight of 335.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is sourced from PubChem (CID 111115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).