N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline

C16H21N3O2 — CID 104609581

IUPACN-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
SMILESCOC1(c2noc(CNc3ccc(C)cc3)n2)CCCC1
InChIInChI=1S/C16H21N3O2/c1-12-5-7-13(8-6-12)17-11-14-18-15(19-21-14)16(20-2)9-3-4-10-16/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyJSTCWOAABXVAFQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.41
Rot. Bonds5

About N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline

N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline (PubChem CID 104609581) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
PubChem CID104609581
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
SMILESCOC1(c2noc(CNc3ccc(C)cc3)n2)CCCC1
InChIInChI=1S/C16H21N3O2/c1-12-5-7-13(8-6-12)17-11-14-18-15(19-21-14)16(20-2)9-3-4-10-16/h5-8,17H,3-4,9-11H2,1-2H3
InChIKeyJSTCWOAABXVAFQ-UHFFFAOYSA-N
XLogP3.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The IUPAC name of N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline (CID 104609581) is N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The canonical SMILES for N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline is COC1(c2noc(CNc3ccc(C)cc3)n2)CCCC1.
What is the InChIKey of N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The InChIKey is JSTCWOAABXVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-7-13(8-6-12)17-11-14-18-15(19-21-14)16(20-2)9-3-4-10-16/h5-8,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline has a molecular weight of 287.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline is sourced from PubChem (CID 104609581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).