1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

C15H19N3O3 — CID 110923403

IUPAC1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H19N3O3/c1-2-12(10-19)17-15(20)16-9-13-8-14(21-18-13)11-6-4-3-5-7-11/h3-8,12,19H,2,9-10H2,1H3,(H2,16,17,20)
InChIKeyIIKHILHQVSXZGU-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.91
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 110923403) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID110923403
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H19N3O3/c1-2-12(10-19)17-15(20)16-9-13-8-14(21-18-13)11-6-4-3-5-7-11/h3-8,12,19H,2,9-10H2,1H3,(H2,16,17,20)
InChIKeyIIKHILHQVSXZGU-UHFFFAOYSA-N
XLogP1.91
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (CID 110923403) is 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is CCC(CO)NC(=O)NCc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is IIKHILHQVSXZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-12(10-19)17-15(20)16-9-13-8-14(21-18-13)11-6-4-3-5-7-11/h3-8,12,19H,2,9-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 289.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 110923403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).