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

C14H15N5O — CID 62741551

IUPAC2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1nc[nH]c1C
InChIInChI=1S/C14H15N5O/c1-9-5-11(14-19-18-8-20-14)3-4-12(9)15-6-13-10(2)16-7-17-13/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)
InChIKeyNIQNRCJNMHBJLK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.69
Rot. Bonds4

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

2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62741551) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID62741551
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1nc[nH]c1C
InChIInChI=1S/C14H15N5O/c1-9-5-11(14-19-18-8-20-14)3-4-12(9)15-6-13-10(2)16-7-17-13/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)
InChIKeyNIQNRCJNMHBJLK-UHFFFAOYSA-N
XLogP2.69
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410267
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62345905
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735629
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835
5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743943
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 54906793
N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 62741551) is 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is Cc1cc(-c2nnco2)ccc1NCc1nc[nH]c1C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is NIQNRCJNMHBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-5-11(14-19-18-8-20-14)3-4-12(9)15-6-13-10(2)16-7-17-13/h3-5,7-8,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62741551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).