1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea

C14H16FN3O2 — CID 6467399

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyUINWPTYDEZSPOL-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.76
Rot. Bonds2

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea (PubChem CID 6467399) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
PubChem CID6467399
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyUINWPTYDEZSPOL-UHFFFAOYSA-N
XLogP3.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
CID 99331
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
ST50939513
CID 2813558
N-[5-(tert-butyl)-3-isoxazolyl]-N'-(2,4-dichlorophenyl)urea
CID 2813559
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)urea
CID 971773
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 975701
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)thiourea
CID 2730383
1-(4-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276893
1-(2-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276894
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-2-phenylacetamide
CID 46883324
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)piperidine-4-carboxamide
CID 46883325

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea (CID 6467399) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea?
The InChIKey is UINWPTYDEZSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea has a molecular weight of 277.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 6467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).