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

C11H13N3O — CID 163469065

IUPAC[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
SMILESCc1nc(Cc2ccc(CN)cc2)no1
InChIInChI=1S/C11H13N3O/c1-8-13-11(14-15-8)6-9-2-4-10(7-12)5-3-9/h2-5H,6-7,12H2,1H3
InChIKeyBVBLIGLCNJGMGG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.43
Rot. Bonds3

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

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine (PubChem CID 163469065) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
PubChem CID163469065
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
SMILESCc1nc(Cc2ccc(CN)cc2)no1
InChIInChI=1S/C11H13N3O/c1-8-13-11(14-15-8)6-9-2-4-10(7-12)5-3-9/h2-5H,6-7,12H2,1H3
InChIKeyBVBLIGLCNJGMGG-UHFFFAOYSA-N
XLogP1.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
CID 23301773
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
1-[3-(aminomethyl)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106423664
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
4-[[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 60894442
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15001242
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine (CID 163469065) is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine is Cc1nc(Cc2ccc(CN)cc2)no1.
What is the InChIKey of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine?
The InChIKey is BVBLIGLCNJGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-13-11(14-15-8)6-9-2-4-10(7-12)5-3-9/h2-5H,6-7,12H2,1H3.
What are the key properties of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine?
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine has a molecular weight of 203.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 163469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).