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

C15H17N5O — CID 66134835

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCn1cncc1CNc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C15H17N5O/c1-3-20-9-16-7-13(20)8-17-14-5-4-12(6-11(14)2)15-19-18-10-21-15/h4-7,9-10,17H,3,8H2,1-2H3
InChIKeyMQHVOSMGUFKNOM-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.87
Rot. Bonds5

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

N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 66134835) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID66134835
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCn1cncc1CNc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C15H17N5O/c1-3-20-9-16-7-13(20)8-17-14-5-4-12(6-11(14)2)15-19-18-10-21-15/h4-7,9-10,17H,3,8H2,1-2H3
InChIKeyMQHVOSMGUFKNOM-UHFFFAOYSA-N
XLogP2.87
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.87
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]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (CID 66134835) is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is CCn1cncc1CNc1ccc(-c2nnco2)cc1C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MQHVOSMGUFKNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-20-9-16-7-13(20)8-17-14-5-4-12(6-11(14)2)15-19-18-10-21-15/h4-7,9-10,17H,3,8H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 283.34 g/mol, XLogP of 2.87, 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]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 66134835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).