1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

C17H21F2N3O2 — CID 71920185

IUPAC1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCCC(NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N3O2/c1-4-5-15(13-7-6-12(18)8-14(13)19)22-17(23)20-9-16-21-10(2)11(3)24-16/h6-8,15H,4-5,9H2,1-3H3,(H2,20,22,23)
InChIKeyBYOCDZLSRXWWBF-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.91
Rot. Bonds6

About 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 71920185) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID71920185
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCCC(NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N3O2/c1-4-5-15(13-7-6-12(18)8-14(13)19)22-17(23)20-9-16-21-10(2)11(3)24-16/h6-8,15H,4-5,9H2,1-3H3,(H2,20,22,23)
InChIKeyBYOCDZLSRXWWBF-UHFFFAOYSA-N
XLogP3.91
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 71920185) is 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is CCCC(NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is BYOCDZLSRXWWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-4-5-15(13-7-6-12(18)8-14(13)19)22-17(23)20-9-16-21-10(2)11(3)24-16/h6-8,15H,4-5,9H2,1-3H3,(H2,20,22,23).
What are the key properties of 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 337.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)butyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 71920185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).