N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C13H15N5O — CID 22493325

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C13H15N5O/c1-9-17-13(19-18-9)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,16H,6-8H2,1H3,(H,14,15)
InChIKeyGETLEMAHEPUIBB-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.46
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 22493325) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID22493325
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C13H15N5O/c1-9-17-13(19-18-9)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,16H,6-8H2,1H3,(H,14,15)
InChIKeyGETLEMAHEPUIBB-UHFFFAOYSA-N
XLogP1.46
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 22493325) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccccc2NCC2=NCCN2)n1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is GETLEMAHEPUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-17-13(19-18-9)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,16H,6-8H2,1H3,(H,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 257.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 22493325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).