1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea

C16H18FN3O2 — CID 71860602

IUPAC1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)NCc1ccon1
InChIInChI=1S/C16H18FN3O2/c1-10-5-6-12-13(3-2-4-14(12)17)15(10)19-16(21)18-9-11-7-8-22-20-11/h2-4,7-8,10,15H,5-6,9H2,1H3,(H2,18,19,21)
InChIKeyYBNJTDIAXXRFRE-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 71860602) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID71860602
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)NCc1ccon1
InChIInChI=1S/C16H18FN3O2/c1-10-5-6-12-13(3-2-4-14(12)17)15(10)19-16(21)18-9-11-7-8-22-20-11/h2-4,7-8,10,15H,5-6,9H2,1H3,(H2,18,19,21)
InChIKeyYBNJTDIAXXRFRE-UHFFFAOYSA-N
XLogP2.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea (CID 71860602) is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea is CC1CCc2c(F)cccc2C1NC(=O)NCc1ccon1.
What is the InChIKey of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is YBNJTDIAXXRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-5-6-12-13(3-2-4-14(12)17)15(10)19-16(21)18-9-11-7-8-22-20-11/h2-4,7-8,10,15H,5-6,9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea?
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 303.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 71860602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).