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

C15H18ClN3O2 — CID 2813560

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H18ClN3O2/c1-9-10(16)6-5-7-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyCVHBUYWBMFAXTB-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.58
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea (PubChem CID 2813560) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea
PubChem CID2813560
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H18ClN3O2/c1-9-10(16)6-5-7-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyCVHBUYWBMFAXTB-UHFFFAOYSA-N
XLogP4.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
CID 739526
1-(2-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 975701
1-(2-Ethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 17276894
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-(3-chloro-2-methylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea (CID 2813560) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea is Cc1c(Cl)cccc1NC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea?
The InChIKey is CVHBUYWBMFAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-10(16)6-5-7-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chloro-2-methylphenyl)urea has a molecular weight of 307.78 g/mol, XLogP of 4.58, 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-(3-chloro-2-methylphenyl)urea is sourced from PubChem (CID 2813560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).