5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

C14H20N4O2 — CID 106960252

IUPAC5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)Oc1cccc(Nc2nnc(C(C)N)o2)c1
InChIInChI=1S/C14H20N4O2/c1-4-9(2)19-12-7-5-6-11(8-12)16-14-18-17-13(20-14)10(3)15/h5-10H,4,15H2,1-3H3,(H,16,18)
InChIKeyFFNJAAYLCBIYNT-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.01
Rot. Bonds6

About 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960252) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960252
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)Oc1cccc(Nc2nnc(C(C)N)o2)c1
InChIInChI=1S/C14H20N4O2/c1-4-9(2)19-12-7-5-6-11(8-12)16-14-18-17-13(20-14)10(3)15/h5-10H,4,15H2,1-3H3,(H,16,18)
InChIKeyFFNJAAYLCBIYNT-UHFFFAOYSA-N
XLogP3.01
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 106960252) is 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is CCC(C)Oc1cccc(Nc2nnc(C(C)N)o2)c1.
What is the InChIKey of 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FFNJAAYLCBIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-9(2)19-12-7-5-6-11(8-12)16-14-18-17-13(20-14)10(3)15/h5-10H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).