1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

C9H15N3O2 — CID 20534524

IUPAC1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)N(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)7-5-8(11-14-7)10-9(13)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyISORSPZEVHZPDM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.89
Rot. Bonds2

About 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 20534524) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
PubChem CID20534524
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)N(C)C)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)7-5-8(11-14-7)10-9(13)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyISORSPZEVHZPDM-UHFFFAOYSA-N
XLogP1.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (CID 20534524) is 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is CC(C)c1cc(NC(=O)N(C)C)no1.
What is the InChIKey of 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is ISORSPZEVHZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)7-5-8(11-14-7)10-9(13)12(3)4/h5-6H,1-4H3,(H,10,11,13).
What are the key properties of 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 197.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 20534524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).