1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea

C14H25N3O3 — CID 109397206

IUPAC1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCCc1noc(C)c1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C14H25N3O3/c1-5-11-12(10(2)20-17-11)16-13(19)15-8-6-7-14(3,4)9-18/h18H,5-9H2,1-4H3,(H2,15,16,19)
InChIKeyNQXIMRHRGPYMGY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.47
Rot. Bonds7

About 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea

1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea (PubChem CID 109397206) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
PubChem CID109397206
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCCc1noc(C)c1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C14H25N3O3/c1-5-11-12(10(2)20-17-11)16-13(19)15-8-6-7-14(3,4)9-18/h18H,5-9H2,1-4H3,(H2,15,16,19)
InChIKeyNQXIMRHRGPYMGY-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The IUPAC name of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea (CID 109397206) is 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea.
What is the SMILES notation for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The canonical SMILES for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea is CCc1noc(C)c1NC(=O)NCCCC(C)(C)CO.
What is the InChIKey of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The InChIKey is NQXIMRHRGPYMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-11-12(10(2)20-17-11)16-13(19)15-8-6-7-14(3,4)9-18/h18H,5-9H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea?
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea has a molecular weight of 283.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea is sourced from PubChem (CID 109397206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).