4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline

C15H21N3O3 — CID 116741295

IUPAC4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCC(CC)(OC)c1noc(-c2cc(OC)ccc2N)n1
InChIInChI=1S/C15H21N3O3/c1-5-15(6-2,20-4)14-17-13(21-18-14)11-9-10(19-3)7-8-12(11)16/h7-9H,5-6,16H2,1-4H3
InChIKeyDUVHLRXZJCLNOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.99
Rot. Bonds6

About 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline

4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 116741295) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID116741295
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCC(CC)(OC)c1noc(-c2cc(OC)ccc2N)n1
InChIInChI=1S/C15H21N3O3/c1-5-15(6-2,20-4)14-17-13(21-18-14)11-9-10(19-3)7-8-12(11)16/h7-9H,5-6,16H2,1-4H3
InChIKeyDUVHLRXZJCLNOR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 115411779
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116741164
4-methoxy-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411882
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
5-chloro-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017728
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61352493
5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116741283
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 116741295) is 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline is CCC(CC)(OC)c1noc(-c2cc(OC)ccc2N)n1.
What is the InChIKey of 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is DUVHLRXZJCLNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-15(6-2,20-4)14-17-13(21-18-14)11-9-10(19-3)7-8-12(11)16/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 291.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 116741295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).