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

C9H15N3O2 — CID 727868

IUPAC1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC(C)(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6-5-7(12-14-6)10-8(13)11-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyHNQWBJYPZHMXDS-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.90
Rot. Bonds1

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

1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 727868) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID727868
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC(C)(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6-5-7(12-14-6)10-8(13)11-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyHNQWBJYPZHMXDS-UHFFFAOYSA-N
XLogP1.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 727868) is 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NC(C)(C)C)no1.
What is the InChIKey of 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HNQWBJYPZHMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-7(12-14-6)10-8(13)11-9(2,3)4/h5H,1-4H3,(H2,10,11,12,13).
What are the key properties of 1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 197.24 g/mol, XLogP of 1.90, 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-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).