1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

C15H18FN5O2 — CID 71863015

IUPAC1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1cnnc1CNC(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C15H18FN5O2/c1-21-9-18-20-14(21)8-17-15(22)19-10-5-6-13(12(16)7-10)23-11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H2,17,19,22)
InChIKeyFXMLPXKGGUCAEO-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 71863015) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID71863015
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1cnnc1CNC(=O)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C15H18FN5O2/c1-21-9-18-20-14(21)8-17-15(22)19-10-5-6-13(12(16)7-10)23-11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H2,17,19,22)
InChIKeyFXMLPXKGGUCAEO-UHFFFAOYSA-N
XLogP2.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 71863015) is 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is Cn1cnnc1CNC(=O)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is FXMLPXKGGUCAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-21-9-18-20-14(21)8-17-15(22)19-10-5-6-13(12(16)7-10)23-11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H2,17,19,22).
What are the key properties of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 319.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 71863015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).