1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea

C18H16FN3O2 — CID 20955490

IUPAC1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(22-17(24-12)13-5-3-2-4-6-13)11-20-18(23)21-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H2,20,21,23)
InChIKeyVDFUYXLKIZRXMC-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.11
Rot. Bonds4

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

1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 20955490) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID20955490
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(22-17(24-12)13-5-3-2-4-6-13)11-20-18(23)21-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H2,20,21,23)
InChIKeyVDFUYXLKIZRXMC-UHFFFAOYSA-N
XLogP4.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-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

Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
CID 154880217
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea (CID 20955490) is 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea is Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is VDFUYXLKIZRXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-16(22-17(24-12)13-5-3-2-4-6-13)11-20-18(23)21-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea?
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 325.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 20955490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).