2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

C14H19N3O — CID 113308031

IUPAC2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCc1ccccc1Cc1noc(C(C)(C)CN)n1
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-11(10)8-12-16-13(18-17-12)14(2,3)9-15/h4-7H,8-9,15H2,1-3H3
InChIKeySEZQVAAAQVKWQD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 113308031) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID113308031
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCc1ccccc1Cc1noc(C(C)(C)CN)n1
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-11(10)8-12-16-13(18-17-12)14(2,3)9-15/h4-7H,8-9,15H2,1-3H3
InChIKeySEZQVAAAQVKWQD-UHFFFAOYSA-N
XLogP2.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79482945
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428079
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 63771150
2-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 55123446
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 113308031) is 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is Cc1ccccc1Cc1noc(C(C)(C)CN)n1.
What is the InChIKey of 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is SEZQVAAAQVKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-4-5-7-11(10)8-12-16-13(18-17-12)14(2,3)9-15/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 113308031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).