1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C14H17FN4O3 — CID 71970176

IUPAC1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCOc1cc(F)ccc1NC(=O)NCc1noc(C)n1
InChIInChI=1S/C14H17FN4O3/c1-3-6-21-12-7-10(15)4-5-11(12)18-14(20)16-8-13-17-9(2)22-19-13/h4-5,7H,3,6,8H2,1-2H3,(H2,16,18,20)
InChIKeyRWAAVTAFLYZKAU-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.63
Rot. Bonds6

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

1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 71970176) has the molecular formula C14H17FN4O3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID71970176
Molecular FormulaC14H17FN4O3
Molecular Weight308.31 g/mol
Exact Mass308.13
IUPAC Name1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCOc1cc(F)ccc1NC(=O)NCc1noc(C)n1
InChIInChI=1S/C14H17FN4O3/c1-3-6-21-12-7-10(15)4-5-11(12)18-14(20)16-8-13-17-9(2)22-19-13/h4-5,7H,3,6,8H2,1-2H3,(H2,16,18,20)
InChIKeyRWAAVTAFLYZKAU-UHFFFAOYSA-N
XLogP2.63
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 71970176) is 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCCOc1cc(F)ccc1NC(=O)NCc1noc(C)n1.
What is the InChIKey of 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is RWAAVTAFLYZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3/c1-3-6-21-12-7-10(15)4-5-11(12)18-14(20)16-8-13-17-9(2)22-19-13/h4-5,7H,3,6,8H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 308.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propoxyphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 71970176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).