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

C15H21N3O3 — CID 61326088

IUPAC3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H21N3O3/c1-5-15(16,6-2)14-17-13(21-18-14)10-7-8-11(19-3)12(9-10)20-4/h7-9H,5-6,16H2,1-4H3
InChIKeyQDHQSAKYFRPJIL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.73
Rot. Bonds6

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

3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61326088) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61326088
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H21N3O3/c1-5-15(16,6-2)14-17-13(21-18-14)10-7-8-11(19-3)12(9-10)20-4/h7-9H,5-6,16H2,1-4H3
InChIKeyQDHQSAKYFRPJIL-UHFFFAOYSA-N
XLogP2.73
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62505441
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799127
2-[5-(3-methoxy-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 104784380
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116740303
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61326088) is 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is QDHQSAKYFRPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-15(16,6-2)14-17-13(21-18-14)10-7-8-11(19-3)12(9-10)20-4/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 291.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61326088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).