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

C15H21N3O3 — CID 56782559

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline
SMILESCCc1noc(CNc2cc(OC)ccc2OC(C)C)n1
InChIInChI=1S/C15H21N3O3/c1-5-14-17-15(21-18-14)9-16-12-8-11(19-4)6-7-13(12)20-10(2)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyIIXSNNKIVJLJTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.04
Rot. Bonds7

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline (PubChem CID 56782559) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline
PubChem CID56782559
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline
SMILESCCc1noc(CNc2cc(OC)ccc2OC(C)C)n1
InChIInChI=1S/C15H21N3O3/c1-5-14-17-15(21-18-14)9-16-12-8-11(19-4)6-7-13(12)20-10(2)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyIIXSNNKIVJLJTE-UHFFFAOYSA-N
XLogP3.04
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline (CID 56782559) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline is CCc1noc(CNc2cc(OC)ccc2OC(C)C)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline?
The InChIKey is IIXSNNKIVJLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-14-17-15(21-18-14)9-16-12-8-11(19-4)6-7-13(12)20-10(2)3/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline has a molecular weight of 291.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline is sourced from PubChem (CID 56782559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).