1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea

C13H23N3O2 — CID 71363909

IUPAC1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
SMILESCCCCN(C)C(=O)Nc1cc(CC(C)C)on1
InChIInChI=1S/C13H23N3O2/c1-5-6-7-16(4)13(17)14-12-9-11(18-15-12)8-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyCXKCEQGDGNUDBK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.14
Rot. Bonds6

About 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea

1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea (PubChem CID 71363909) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea.

Molecular Properties

Compound Name1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
PubChem CID71363909
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea
SMILESCCCCN(C)C(=O)Nc1cc(CC(C)C)on1
InChIInChI=1S/C13H23N3O2/c1-5-6-7-16(4)13(17)14-12-9-11(18-15-12)8-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyCXKCEQGDGNUDBK-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea?
The IUPAC name of 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea (CID 71363909) is 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea.
What is the SMILES notation for 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea?
The canonical SMILES for 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea is CCCCN(C)C(=O)Nc1cc(CC(C)C)on1.
What is the InChIKey of 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea?
The InChIKey is CXKCEQGDGNUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-6-7-16(4)13(17)14-12-9-11(18-15-12)8-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17).
What are the key properties of 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea?
1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea has a molecular weight of 253.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-3-[5-(2-methylpropyl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 71363909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).