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

C13H17N3O3 — CID 108812279

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCc2ccco2)no1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(17)14-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyAETJMKXUMFIEJK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.89
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea (PubChem CID 108812279) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
PubChem CID108812279
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCc2ccco2)no1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(17)14-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyAETJMKXUMFIEJK-UHFFFAOYSA-N
XLogP2.89
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108812303
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
propan-2-yl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 110191733
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798
1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
CID 71920383
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea (CID 108812279) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea is CC(C)(C)c1cc(NC(=O)NCc2ccco2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea?
The InChIKey is AETJMKXUMFIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(17)14-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea has a molecular weight of 263.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 108812279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).