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

C14H19N3O2 — CID 62343759

IUPACN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2nc(CNC(C)C)no2)ccc1C
InChIInChI=1S/C14H19N3O2/c1-9(2)15-8-13-16-14(19-17-13)11-6-5-10(3)12(7-11)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyQGPJUDRAPSCYNR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds5

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

N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 62343759) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID62343759
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2nc(CNC(C)C)no2)ccc1C
InChIInChI=1S/C14H19N3O2/c1-9(2)15-8-13-16-14(19-17-13)11-6-5-10(3)12(7-11)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyQGPJUDRAPSCYNR-UHFFFAOYSA-N
XLogP2.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 1252416
N-cyclopentyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1848627
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747270
3-Benzyl-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89626587
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 152061489
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371
N-(2-methoxyethyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1983138
N-isopropyl-3-methoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2226351
3,5-Bis(3-methoxyphenyl)-1,2,4-oxadiazole
CID 2989748

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 62343759) is N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is COc1cc(-c2nc(CNC(C)C)no2)ccc1C.
What is the InChIKey of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is QGPJUDRAPSCYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)15-8-13-16-14(19-17-13)11-6-5-10(3)12(7-11)18-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62343759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).