(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C14H19N3O — CID 43753558

IUPAC(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C14H19N3O/c1-4-5-12-16-14(17-18-12)13(15)11-7-6-9(2)10(3)8-11/h6-8,13H,4-5,15H2,1-3H3
InChIKeyRARCQEJJMAZVMH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.69
Rot. Bonds4

About (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43753558) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43753558
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C14H19N3O/c1-4-5-12-16-14(17-18-12)13(15)11-7-6-9(2)10(3)8-11/h6-8,13H,4-5,15H2,1-3H3
InChIKeyRARCQEJJMAZVMH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 63647944
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(4-cyclopropylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 79980476
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 114064742
(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559561
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43753558) is (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)c2ccc(C)c(C)c2)no1.
What is the InChIKey of (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RARCQEJJMAZVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-12-16-14(17-18-12)13(15)11-7-6-9(2)10(3)8-11/h6-8,13H,4-5,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43753558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).