3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea

C21H22FN3O3 — CID 46111712

IUPAC3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C(=O)Nc3ccccc3F)C(C)C)no2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(2)25(21(26)23-19-10-5-4-9-18(19)22)13-16-12-20(28-24-16)15-7-6-8-17(11-15)27-3/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyZKOYXRHSXZVBIU-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.93
Rot. Bonds6

About 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea

3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea (PubChem CID 46111712) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
PubChem CID46111712
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C(=O)Nc3ccccc3F)C(C)C)no2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(2)25(21(26)23-19-10-5-4-9-18(19)22)13-16-12-20(28-24-16)15-7-6-8-17(11-15)27-3/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyZKOYXRHSXZVBIU-UHFFFAOYSA-N
XLogP4.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 42822588
N-(2-fluorophenyl)-2-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanamide
CID 110406367
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
CID 51070084

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea (CID 46111712) is 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea is COc1cccc(-c2cc(CN(C(=O)Nc3ccccc3F)C(C)C)no2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea?
The InChIKey is ZKOYXRHSXZVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14(2)25(21(26)23-19-10-5-4-9-18(19)22)13-16-12-20(28-24-16)15-7-6-8-17(11-15)27-3/h4-12,14H,13H2,1-3H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea?
3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea has a molecular weight of 383.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea is sourced from PubChem (CID 46111712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).