1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea

C19H27N3O2 — CID 91646314

IUPAC1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC(C)(C)c1ccc(C(C)(C)CNC(=O)NCc2ccon2)cc1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)13-21-17(23)20-12-16-10-11-24-22-16/h6-11H,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyIQXTVTLMFYYFAS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.75
Rot. Bonds5

About 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 91646314) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID91646314
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC(C)(C)c1ccc(C(C)(C)CNC(=O)NCc2ccon2)cc1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)13-21-17(23)20-12-16-10-11-24-22-16/h6-11H,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyIQXTVTLMFYYFAS-UHFFFAOYSA-N
XLogP3.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-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

Related Compounds

ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
2,2-dimethyl-3-(1,2-oxazol-3-ylmethylamino)-3-oxopropanoic acid
CID 82820653
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 91646314) is 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea is CC(C)(C)c1ccc(C(C)(C)CNC(=O)NCc2ccon2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is IQXTVTLMFYYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)13-21-17(23)20-12-16-10-11-24-22-16/h6-11H,12-13H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 329.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 91646314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).