2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

C15H13FN2O2S — CID 97054773

IUPAC2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13FN2O2S/c1-19-10-4-5-11(16)12(7-10)17-9-15-18-8-13(20-15)14-3-2-6-21-14/h2-8,17H,9H2,1H3
InChIKeyZZGAQSVWJHMVHP-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.16
Rot. Bonds5

About 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline

2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 97054773) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID97054773
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13FN2O2S/c1-19-10-4-5-11(16)12(7-10)17-9-15-18-8-13(20-15)14-3-2-6-21-14/h2-8,17H,9H2,1H3
InChIKeyZZGAQSVWJHMVHP-UHFFFAOYSA-N
XLogP4.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline (CID 97054773) is 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is COc1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is ZZGAQSVWJHMVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-10-4-5-11(16)12(7-10)17-9-15-18-8-13(20-15)14-3-2-6-21-14/h2-8,17H,9H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline?
2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 304.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 97054773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).