1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea

C18H21N3O3 — CID 71865812

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea
SMILESC#CCOc1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C18H21N3O3/c1-5-9-23-14-8-6-7-13(10-14)21-17(22)20-12-16-19-11-15(24-16)18(2,3)4/h1,6-8,10-11H,9,12H2,2-4H3,(H2,20,21,22)
InChIKeyZVEUFBIGEDOHPS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.31
Rot. Bonds5

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea (PubChem CID 71865812) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea
PubChem CID71865812
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea
SMILESC#CCOc1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C18H21N3O3/c1-5-9-23-14-8-6-7-13(10-14)21-17(22)20-12-16-19-11-15(24-16)18(2,3)4/h1,6-8,10-11H,9,12H2,2-4H3,(H2,20,21,22)
InChIKeyZVEUFBIGEDOHPS-UHFFFAOYSA-N
XLogP3.31
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-methylsulfinylphenyl)urea
CID 71982809
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842157
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86940266
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111592960
2-[[[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111594547
1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71992274

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea (CID 71865812) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea is C#CCOc1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea?
The InChIKey is ZVEUFBIGEDOHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-5-9-23-14-8-6-7-13(10-14)21-17(22)20-12-16-19-11-15(24-16)18(2,3)4/h1,6-8,10-11H,9,12H2,2-4H3,(H2,20,21,22).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea has a molecular weight of 327.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-prop-2-ynoxyphenyl)urea is sourced from PubChem (CID 71865812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).