N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline

C17H23N3O — CID 60942327

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnco2)cc1)C1CCCN(C)C1
InChIInChI=1S/C17H23N3O/c1-13(15-4-3-9-20(2)11-15)19-16-7-5-14(6-8-16)17-10-18-12-21-17/h5-8,10,12-13,15,19H,3-4,9,11H2,1-2H3
InChIKeyYAASRYVYJHVMGZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline

N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 60942327) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID60942327
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnco2)cc1)C1CCCN(C)C1
InChIInChI=1S/C17H23N3O/c1-13(15-4-3-9-20(2)11-15)19-16-7-5-14(6-8-16)17-10-18-12-21-17/h5-8,10,12-13,15,19H,3-4,9,11H2,1-2H3
InChIKeyYAASRYVYJHVMGZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline (CID 60942327) is N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline is CC(Nc1ccc(-c2cnco2)cc1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is YAASRYVYJHVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(15-4-3-9-20(2)11-15)19-16-7-5-14(6-8-16)17-10-18-12-21-17/h5-8,10,12-13,15,19H,3-4,9,11H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline?
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 60942327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).