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

C14H13FN4O — CID 75427341

IUPAC2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCc1cnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C14H13FN4O/c1-10-8-16-13(20-10)9-17-14-11(15)4-2-5-12(14)19-7-3-6-18-19/h2-8,17H,9H2,1H3
InChIKeyRRHDGDGFMCENBN-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.92
Rot. Bonds4

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

2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline (PubChem CID 75427341) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
PubChem CID75427341
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCc1cnc(CNc2c(F)cccc2-n2cccn2)o1
InChIInChI=1S/C14H13FN4O/c1-10-8-16-13(20-10)9-17-14-11(15)4-2-5-12(14)19-7-3-6-18-19/h2-8,17H,9H2,1H3
InChIKeyRRHDGDGFMCENBN-UHFFFAOYSA-N
XLogP2.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.92
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-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The IUPAC name of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline (CID 75427341) is 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline.
What is the SMILES notation for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The canonical SMILES for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline is Cc1cnc(CNc2c(F)cccc2-n2cccn2)o1.
What is the InChIKey of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The InChIKey is RRHDGDGFMCENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-10-8-16-13(20-10)9-17-14-11(15)4-2-5-12(14)19-7-3-6-18-19/h2-8,17H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline has a molecular weight of 272.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-pyrazol-1-ylaniline is sourced from PubChem (CID 75427341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).