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

C15H15N3O2 — CID 62346309

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3nnco3)cc2)o1
InChIInChI=1S/C15H15N3O2/c1-2-13-7-8-14(20-13)9-16-12-5-3-11(4-6-12)15-18-17-10-19-15/h3-8,10,16H,2,9H2,1H3
InChIKeyMEZQDCNTZBUUGY-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.50
Rot. Bonds5

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

N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62346309) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID62346309
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3nnco3)cc2)o1
InChIInChI=1S/C15H15N3O2/c1-2-13-7-8-14(20-13)9-16-12-5-3-11(4-6-12)15-18-17-10-19-15/h3-8,10,16H,2,9H2,1H3
InChIKeyMEZQDCNTZBUUGY-UHFFFAOYSA-N
XLogP3.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 62346309) is N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is CCc1ccc(CNc2ccc(-c3nnco3)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MEZQDCNTZBUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-13-7-8-14(20-13)9-16-12-5-3-11(4-6-12)15-18-17-10-19-15/h3-8,10,16H,2,9H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 269.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).