(5-tert-butyl-1,2-oxazol-3-yl)urea

C8H13N3O2 — CID 6453261

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(N)=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5-4-6(11-13-5)10-7(9)12/h4H,1-3H3,(H3,9,10,11,12)
InChIKeyPMXLTKAKSSLLDX-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.46
Rot. Bonds1

About (5-tert-butyl-1,2-oxazol-3-yl)urea

(5-tert-butyl-1,2-oxazol-3-yl)urea (PubChem CID 6453261) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)urea
PubChem CID6453261
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(N)=O)no1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5-4-6(11-13-5)10-7(9)12/h4H,1-3H3,(H3,9,10,11,12)
InChIKeyPMXLTKAKSSLLDX-UHFFFAOYSA-N
XLogP1.46
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-tert-butyl-1,2-oxazol-3-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

Related Compounds

(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
CID 58990227
CID 58990227
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylthiourea
CID 19687473
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
(1R,2R,3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100741524
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
(1R,2S,3R,4R)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124763908
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926281

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)urea?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)urea (CID 6453261) is (5-tert-butyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)urea is CC(C)(C)c1cc(NC(N)=O)no1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)urea?
The InChIKey is PMXLTKAKSSLLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)5-4-6(11-13-5)10-7(9)12/h4H,1-3H3,(H3,9,10,11,12).
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)urea?
(5-tert-butyl-1,2-oxazol-3-yl)urea has a molecular weight of 183.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).