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

C14H15N5O — CID 66133774

IUPACN-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCn1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H15N5O/c1-2-19-9-15-7-13(19)8-16-12-5-3-4-11(6-12)14-18-17-10-20-14/h3-7,9-10,16H,2,8H2,1H3
InChIKeyKJFUJLRYNWWLOK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.57
Rot. Bonds5

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

N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 66133774) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID66133774
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCn1cncc1CNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H15N5O/c1-2-19-9-15-7-13(19)8-16-12-5-3-4-11(6-12)14-18-17-10-20-14/h3-7,9-10,16H,2,8H2,1H3
InChIKeyKJFUJLRYNWWLOK-UHFFFAOYSA-N
XLogP2.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 66133774) is N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is CCn1cncc1CNc1cccc(-c2nnco2)c1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is KJFUJLRYNWWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-9-15-7-13(19)8-16-12-5-3-4-11(6-12)14-18-17-10-20-14/h3-7,9-10,16H,2,8H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 66133774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).