1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea

C9H15N3O2 — CID 110747872

IUPAC1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCc1cocn1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-4-7-5-14-6-11-7/h5-6H,4H2,1-3H3,(H2,10,12,13)
InChIKeyNTJLRPIHZGETTP-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.27
Rot. Bonds2

About 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea

1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea (PubChem CID 110747872) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea
PubChem CID110747872
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCc1cocn1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-4-7-5-14-6-11-7/h5-6H,4H2,1-3H3,(H2,10,12,13)
InChIKeyNTJLRPIHZGETTP-UHFFFAOYSA-N
XLogP1.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea?
The IUPAC name of 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea (CID 110747872) is 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea is CC(C)(C)NC(=O)NCc1cocn1.
What is the InChIKey of 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea?
The InChIKey is NTJLRPIHZGETTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-4-7-5-14-6-11-7/h5-6H,4H2,1-3H3,(H2,10,12,13).
What are the key properties of 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea?
1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea has a molecular weight of 197.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea is sourced from PubChem (CID 110747872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).