1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

C14H25N3O3 — CID 111335800

IUPAC1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)CC(O)CNC(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-9(2)5-11(18)7-15-14(19)16-8-12-6-13(10(3)4)17-20-12/h6,9-11,18H,5,7-8H2,1-4H3,(H2,15,16,19)
InChIKeyXSUHTFXAJOQJDY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.00
Rot. Bonds7

About 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 111335800) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID111335800
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)CC(O)CNC(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-9(2)5-11(18)7-15-14(19)16-8-12-6-13(10(3)4)17-20-12/h6,9-11,18H,5,7-8H2,1-4H3,(H2,15,16,19)
InChIKeyXSUHTFXAJOQJDY-UHFFFAOYSA-N
XLogP2.00
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 111335800) is 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CC(C)CC(O)CNC(=O)NCc1cc(C(C)C)no1.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is XSUHTFXAJOQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)5-11(18)7-15-14(19)16-8-12-6-13(10(3)4)17-20-12/h6,9-11,18H,5,7-8H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 283.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 111335800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).