N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline

C17H18N2O2 — CID 62346872

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3coc(C)n3)cc2)o1
InChIInChI=1S/C17H18N2O2/c1-3-15-8-9-16(21-15)10-18-14-6-4-13(5-7-14)17-11-20-12(2)19-17/h4-9,11,18H,3,10H2,1-2H3
InChIKeyXLMAJIZWJPEQPC-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.42
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline

N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 62346872) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID62346872
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3coc(C)n3)cc2)o1
InChIInChI=1S/C17H18N2O2/c1-3-15-8-9-16(21-15)10-18-14-6-4-13(5-7-14)17-11-20-12(2)19-17/h4-9,11,18H,3,10H2,1-2H3
InChIKeyXLMAJIZWJPEQPC-UHFFFAOYSA-N
XLogP4.42
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 62346872) is N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is CCc1ccc(CNc2ccc(-c3coc(C)n3)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is XLMAJIZWJPEQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-15-8-9-16(21-15)10-18-14-6-4-13(5-7-14)17-11-20-12(2)19-17/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 282.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 62346872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).