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

C8H13N3O2 — CID 108813966

IUPAC1-tert-butyl-3-(1,2-oxazol-5-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccno1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)11-7(12)10-6-4-5-9-13-6/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZOLJOBCNBSRBBS-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.59
Rot. Bonds1

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

1-tert-butyl-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813966) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,2-oxazol-5-yl)urea
PubChem CID108813966
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-tert-butyl-3-(1,2-oxazol-5-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccno1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)11-7(12)10-6-4-5-9-13-6/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZOLJOBCNBSRBBS-UHFFFAOYSA-N
XLogP1.59
TPSA67.16 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Oxazol-5-ylurea
CID 20534843
1-Ethyl-3-(1,2-oxazol-5-yl)urea
CID 21431583
1-Methyl-3-(1,2-oxazol-5-yl)urea
CID 21431588
N-(1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 24865982
N-(1,2-oxazol-5-yl)acetamide
CID 54012742
2-methyl-N-(1,2-oxazol-5-yl)propanamide
CID 57886986
1-Ethyl-3-methyl-1-(1,2-oxazol-5-yl)urea
CID 69171433
1-(1,2-Oxazol-5-yl)imidazolidin-2-one
CID 70555092
tert-Butyl isoxazol-5-ylcarbamate
CID 70700925
1-Hydroxy-1-(1,2-oxazol-5-yl)urea
CID 88634980
5-(3-Oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole
CID 88755760
N-(1,2-oxazol-5-yl)carbamoyl chloride
CID 88756835

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1,2-oxazol-5-yl)urea (CID 108813966) is 1-tert-butyl-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,2-oxazol-5-yl)urea is CC(C)(C)NC(=O)Nc1ccno1.
What is the InChIKey of 1-tert-butyl-3-(1,2-oxazol-5-yl)urea?
The InChIKey is ZOLJOBCNBSRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)11-7(12)10-6-4-5-9-13-6/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 1-tert-butyl-3-(1,2-oxazol-5-yl)urea?
1-tert-butyl-3-(1,2-oxazol-5-yl)urea has a molecular weight of 183.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).