1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea

C10H16N4O3 — CID 2743501

IUPAC1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
SMILESCCCCNC(=O)NNC(=O)c1cc(C)on1
InChIInChI=1S/C10H16N4O3/c1-3-4-5-11-10(16)13-12-9(15)8-6-7(2)17-14-8/h6H,3-5H2,1-2H3,(H,12,15)(H2,11,13,16)
InChIKeyYVTWZZWXXMBUDF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.73
Rot. Bonds4

About 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea

1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea (PubChem CID 2743501) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
PubChem CID2743501
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea
SMILESCCCCNC(=O)NNC(=O)c1cc(C)on1
InChIInChI=1S/C10H16N4O3/c1-3-4-5-11-10(16)13-12-9(15)8-6-7(2)17-14-8/h6H,3-5H2,1-2H3,(H,12,15)(H2,11,13,16)
InChIKeyYVTWZZWXXMBUDF-UHFFFAOYSA-N
XLogP0.73
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The IUPAC name of 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea (CID 2743501) is 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea.
What is the SMILES notation for 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The canonical SMILES for 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea is CCCCNC(=O)NNC(=O)c1cc(C)on1.
What is the InChIKey of 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
The InChIKey is YVTWZZWXXMBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-4-5-11-10(16)13-12-9(15)8-6-7(2)17-14-8/h6H,3-5H2,1-2H3,(H,12,15)(H2,11,13,16).
What are the key properties of 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea?
1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea has a molecular weight of 240.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]urea is sourced from PubChem (CID 2743501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).