1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea

C17H30N4O3 — CID 47076439

IUPAC1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCCCCCCN(CCN1CCOCC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H30N4O3/c1-3-4-5-6-7-21(9-8-20-10-12-23-13-11-20)17(22)18-16-14-15(2)24-19-16/h14H,3-13H2,1-2H3,(H,18,19,22)
InChIKeyPNAYNGTUWQPFBP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.73
Rot. Bonds9

About 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea

1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 47076439) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID47076439
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCCCCCCN(CCN1CCOCC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H30N4O3/c1-3-4-5-6-7-21(9-8-20-10-12-23-13-11-20)17(22)18-16-14-15(2)24-19-16/h14H,3-13H2,1-2H3,(H,18,19,22)
InChIKeyPNAYNGTUWQPFBP-UHFFFAOYSA-N
XLogP2.73
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea (CID 47076439) is 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea is CCCCCCN(CCN1CCOCC1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is PNAYNGTUWQPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-3-4-5-6-7-21(9-8-20-10-12-23-13-11-20)17(22)18-16-14-15(2)24-19-16/h14H,3-13H2,1-2H3,(H,18,19,22).
What are the key properties of 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea?
1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 338.45 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 47076439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).