1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C16H21N3O2 — CID 63350290

IUPAC1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(Cc1nc(Cc2cccc(OC)c2)no1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-17-14(12-6-7-12)10-16-18-15(19-21-16)9-11-4-3-5-13(8-11)20-2/h3-5,8,12,14,17H,6-7,9-10H2,1-2H3
InChIKeyXCKGOQTYRURSQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds7

About 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine

1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 63350290) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID63350290
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(Cc1nc(Cc2cccc(OC)c2)no1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-17-14(12-6-7-12)10-16-18-15(19-21-16)9-11-4-3-5-13(8-11)20-2/h3-5,8,12,14,17H,6-7,9-10H2,1-2H3
InChIKeyXCKGOQTYRURSQY-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352086
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
3-hydroxy-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524109
N-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274026
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346314
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
N-ethyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852078
1-cyclopropyl-2-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 66070680
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 63350290) is 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNC(Cc1nc(Cc2cccc(OC)c2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is XCKGOQTYRURSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-14(12-6-7-12)10-16-18-15(19-21-16)9-11-4-3-5-13(8-11)20-2/h3-5,8,12,14,17H,6-7,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 63350290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).