1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea

C11H10FN3OS — CID 19686901

IUPAC1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea
SMILESFc1ccc(CNC(=S)Nc2ccon2)cc1
InChIInChI=1S/C11H10FN3OS/c12-9-3-1-8(2-4-9)7-13-11(17)14-10-5-6-16-15-10/h1-6H,7H2,(H2,13,14,15,17)
InChIKeyLISNXVYZFPIJRH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.30
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea

1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea (PubChem CID 19686901) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea
PubChem CID19686901
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea
SMILESFc1ccc(CNC(=S)Nc2ccon2)cc1
InChIInChI=1S/C11H10FN3OS/c12-9-3-1-8(2-4-9)7-13-11(17)14-10-5-6-16-15-10/h1-6H,7H2,(H2,13,14,15,17)
InChIKeyLISNXVYZFPIJRH-UHFFFAOYSA-N
XLogP2.30
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea (CID 19686901) is 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea is Fc1ccc(CNC(=S)Nc2ccon2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea?
The InChIKey is LISNXVYZFPIJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-9-3-1-8(2-4-9)7-13-11(17)14-10-5-6-16-15-10/h1-6H,7H2,(H2,13,14,15,17).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea?
1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea has a molecular weight of 251.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(1,2-oxazol-3-yl)thiourea is sourced from PubChem (CID 19686901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).