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

C15H27N3O3 — CID 111335806

IUPAC1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C15H27N3O3/c1-6-11(4)15(5,20)9-17-14(19)16-8-12-7-13(10(2)3)18-21-12/h7,10-11,20H,6,8-9H2,1-5H3,(H2,16,17,19)
InChIKeyPKVJNXGUXUUPPM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.39
Rot. Bonds7

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

1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 111335806) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID111335806
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C15H27N3O3/c1-6-11(4)15(5,20)9-17-14(19)16-8-12-7-13(10(2)3)18-21-12/h7,10-11,20H,6,8-9H2,1-5H3,(H2,16,17,19)
InChIKeyPKVJNXGUXUUPPM-UHFFFAOYSA-N
XLogP2.39
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2,3-dimethylpentyl)-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-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 111335806) is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CCC(C)C(C)(O)CNC(=O)NCc1cc(C(C)C)no1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is PKVJNXGUXUUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-6-11(4)15(5,20)9-17-14(19)16-8-12-7-13(10(2)3)18-21-12/h7,10-11,20H,6,8-9H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 297.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 111335806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).