[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine

C14H15N5O — CID 82895451

IUPAC[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCn1cncc1-c1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C14H15N5O/c1-19-9-16-8-12(19)14-17-13(20-18-14)6-10-4-2-3-5-11(10)7-15/h2-5,8-9H,6-7,15H2,1H3
InChIKeyOJEGVLLRPLADBB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.52
Rot. Bonds4

About [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine

[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (PubChem CID 82895451) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
PubChem CID82895451
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCn1cncc1-c1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C14H15N5O/c1-19-9-16-8-12(19)14-17-13(20-18-14)6-10-4-2-3-5-11(10)7-15/h2-5,8-9H,6-7,15H2,1H3
InChIKeyOJEGVLLRPLADBB-UHFFFAOYSA-N
XLogP1.52
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 82895452
[2-[[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81311972
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 82895462
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82903104
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82895457
6-methyl-2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-amine
CID 172722784
[2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81317850
[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 82903111
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318061

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The IUPAC name of [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (CID 82895451) is [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is Cn1cncc1-c1noc(Cc2ccccc2CN)n1.
What is the InChIKey of [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The InChIKey is OJEGVLLRPLADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-9-16-8-12(19)14-17-13(20-18-14)6-10-4-2-3-5-11(10)7-15/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine has a molecular weight of 269.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).