1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea

C17H23N3O2 — CID 110669925

IUPAC1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
SMILESCc1noc(C)c1-c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-11-15(12(2)22-20-11)13-6-8-14(9-7-13)19-16(21)18-10-17(3,4)5/h6-9H,10H2,1-5H3,(H2,18,19,21)
InChIKeyYOLNCBSCLIWSPA-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea

1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea (PubChem CID 110669925) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
PubChem CID110669925
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
SMILESCc1noc(C)c1-c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-11-15(12(2)22-20-11)13-6-8-14(9-7-13)19-16(21)18-10-17(3,4)5/h6-9H,10H2,1-5H3,(H2,18,19,21)
InChIKeyYOLNCBSCLIWSPA-UHFFFAOYSA-N
XLogP4.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110669843
[1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-3-oxopropan-2-yl]carbamic acid
CID 154944157
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 110669879
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
CID 110669884
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea (CID 110669925) is 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea is Cc1noc(C)c1-c1ccc(NC(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea?
The InChIKey is YOLNCBSCLIWSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-15(12(2)22-20-11)13-6-8-14(9-7-13)19-16(21)18-10-17(3,4)5/h6-9H,10H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea?
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea has a molecular weight of 301.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 110669925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).