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

C14H16ClN3O2 — CID 6468384

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyHNTWPNKJZOAMSI-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.27
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea (PubChem CID 6468384) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea
PubChem CID6468384
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyHNTWPNKJZOAMSI-UHFFFAOYSA-N
XLogP4.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.27
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
1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
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
1-(3-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 24818583
3-(2-chlorophenyl)-N-(5-methyl-3-isoxazolyl)acrylamide
CID 885080
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
CID 6467399
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471
AK-968/40384983
CID 840580

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea (CID 6468384) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea?
The InChIKey is HNTWPNKJZOAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/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-(2-chlorophenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-chlorophenyl)urea has a molecular weight of 293.75 g/mol, XLogP of 4.27, 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-(2-chlorophenyl)urea is sourced from PubChem (CID 6468384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).