1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea

C15H17FN4O2 — CID 99578684

IUPAC1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F
InChIInChI=1S/C15H17FN4O2/c1-9(2)8-17-15(21)19-13(14-18-10(3)22-20-14)11-6-4-5-7-12(11)16/h4-7,13H,1,8H2,2-3H3,(H2,17,19,21)/t13-/m0/s1
InChIKeyMHPYCTSXOYZCNA-ZDUSSCGKSA-N
MW304.33 g/mol
LogP2.48
Rot. Bonds5

About 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea

1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea (PubChem CID 99578684) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
PubChem CID99578684
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F
InChIInChI=1S/C15H17FN4O2/c1-9(2)8-17-15(21)19-13(14-18-10(3)22-20-14)11-6-4-5-7-12(11)16/h4-7,13H,1,8H2,2-3H3,(H2,17,19,21)/t13-/m0/s1
InChIKeyMHPYCTSXOYZCNA-ZDUSSCGKSA-N
XLogP2.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)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-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 167936648
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide
CID 95627865
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 71972754
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 71972980
2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 102557272
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96549223
(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124595201
(2S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124696131
trans-(1S,3S)-3-amino-N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 125153878
(2S)-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbutanamide
CID 95380023
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039
1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 75378383

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea (CID 99578684) is 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F.
What is the InChIKey of 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is MHPYCTSXOYZCNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-9(2)8-17-15(21)19-13(14-18-10(3)22-20-14)11-6-4-5-7-12(11)16/h4-7,13H,1,8H2,2-3H3,(H2,17,19,21)/t13-/m0/s1.
What are the key properties of 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea?
1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 304.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 99578684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).