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

C14H19N3O — CID 63347498

IUPAC3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2ccccc2C)no1)C(C)N
InChIInChI=1S/C14H19N3O/c1-4-11(10(3)15)14-16-13(17-18-14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,15H2,1-3H3
InChIKeyNLKABMJPLMIENR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.89
Rot. Bonds4

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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63347498) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63347498
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(-c2ccccc2C)no1)C(C)N
InChIInChI=1S/C14H19N3O/c1-4-11(10(3)15)14-16-13(17-18-14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,15H2,1-3H3
InChIKeyNLKABMJPLMIENR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63346107
(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
CID 97095296
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
3-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106850058

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63347498) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(-c2ccccc2C)no1)C(C)N.
What is the InChIKey of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NLKABMJPLMIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(10(3)15)14-16-13(17-18-14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,15H2,1-3H3.
What are the key properties of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63347498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).