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

C13H23N3O2S — CID 71865651

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O2S/c1-9(8-19-5)16-12(17)15-7-11-14-6-10(18-11)13(2,3)4/h6,9H,7-8H2,1-5H3,(H2,15,16,17)
InChIKeyFMDOTCURSKVZGQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.52
Rot. Bonds5

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea (PubChem CID 71865651) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea
PubChem CID71865651
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O2S/c1-9(8-19-5)16-12(17)15-7-11-14-6-10(18-11)13(2,3)4/h6,9H,7-8H2,1-5H3,(H2,15,16,17)
InChIKeyFMDOTCURSKVZGQ-UHFFFAOYSA-N
XLogP2.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)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-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea (CID 71865651) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea is CSCC(C)NC(=O)NCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea?
The InChIKey is FMDOTCURSKVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(8-19-5)16-12(17)15-7-11-14-6-10(18-11)13(2,3)4/h6,9H,7-8H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea has a molecular weight of 285.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-methylsulfanylpropan-2-yl)urea is sourced from PubChem (CID 71865651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).