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

C14H17N3O2 — CID 2813558

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-9-12(17-19-11)16-13(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyHLGLVMKQMJKHKR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.62
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea (PubChem CID 2813558) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
PubChem CID2813558
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-9-12(17-19-11)16-13(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyHLGLVMKQMJKHKR-UHFFFAOYSA-N
XLogP3.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea (CID 2813558) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea?
The InChIKey is HLGLVMKQMJKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)11-9-12(17-19-11)16-13(18)15-10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea has a molecular weight of 259.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea is sourced from PubChem (CID 2813558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).