N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C14H19N3O2 — CID 106392553

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ncon2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(2)19-13-6-4-12(5-7-13)11(3)15-8-14-16-9-18-17-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyDTPHLCHAQZHLSV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.71
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 106392553) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID106392553
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NCc2ncon2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(2)19-13-6-4-12(5-7-13)11(3)15-8-14-16-9-18-17-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyDTPHLCHAQZHLSV-UHFFFAOYSA-N
XLogP2.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103907028
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064
1-(1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393940
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 106395308
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 106392827
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 106392553) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NCc2ncon2)cc1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is DTPHLCHAQZHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)19-13-6-4-12(5-7-13)11(3)15-8-14-16-9-18-17-14/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 106392553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).