2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline

C16H17FN4O — CID 71858053

IUPAC2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCC(C)c1cnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C16H17FN4O/c1-11(2)14-9-18-15(22-14)10-19-16-12(17)5-3-6-13(16)21-8-4-7-20-21/h3-9,11,19H,10H2,1-2H3
InChIKeyNVFUFSSMAILYOA-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.73
Rot. Bonds5

About 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline

2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline (PubChem CID 71858053) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
PubChem CID71858053
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCC(C)c1cnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C16H17FN4O/c1-11(2)14-9-18-15(22-14)10-19-16-12(17)5-3-6-13(16)21-8-4-7-20-21/h3-9,11,19H,10H2,1-2H3
InChIKeyNVFUFSSMAILYOA-UHFFFAOYSA-N
XLogP3.73
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The IUPAC name of 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline (CID 71858053) is 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline.
What is the SMILES notation for 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The canonical SMILES for 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline is CC(C)c1cnc(CNc2c(F)cccc2-n2cccn2)o1.
What is the InChIKey of 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The InChIKey is NVFUFSSMAILYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11(2)14-9-18-15(22-14)10-19-16-12(17)5-3-6-13(16)21-8-4-7-20-21/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline has a molecular weight of 300.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline is sourced from PubChem (CID 71858053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).