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

C15H14FN5O2S — CID 71972754

IUPAC1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(=O)NC(c2noc(C)n2)c2ccccc2F)sn1
InChIInChI=1S/C15H14FN5O2S/c1-8-7-12(24-21-8)18-15(22)19-13(14-17-9(2)23-20-14)10-5-3-4-6-11(10)16/h3-7,13H,1-2H3,(H2,18,19,22)
InChIKeyPESULTJFHVZCBQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.19
Rot. Bonds4

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

1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea (PubChem CID 71972754) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea
PubChem CID71972754
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(=O)NC(c2noc(C)n2)c2ccccc2F)sn1
InChIInChI=1S/C15H14FN5O2S/c1-8-7-12(24-21-8)18-15(22)19-13(14-17-9(2)23-20-14)10-5-3-4-6-11(10)16/h3-7,13H,1-2H3,(H2,18,19,22)
InChIKeyPESULTJFHVZCBQ-UHFFFAOYSA-N
XLogP3.19
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)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-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 71972980
1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 99578684
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
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
trans-(1S,3S)-3-amino-N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 125153878
(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
1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 95769889
3-fluoro-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95380015
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea (CID 71972754) is 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea is Cc1cc(NC(=O)NC(c2noc(C)n2)c2ccccc2F)sn1.
What is the InChIKey of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea?
The InChIKey is PESULTJFHVZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-8-7-12(24-21-8)18-15(22)19-13(14-17-9(2)23-20-14)10-5-3-4-6-11(10)16/h3-7,13H,1-2H3,(H2,18,19,22).
What are the key properties of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea?
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea has a molecular weight of 347.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 71972754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).