3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

C15H15N5O — CID 63259809

IUPAC3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCC(C)c1ccc(-c2noc(-c3nccnc3N)n2)cc1
InChIInChI=1S/C15H15N5O/c1-9(2)10-3-5-11(6-4-10)14-19-15(21-20-14)12-13(16)18-8-7-17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyLLIYYLFSYIIOQB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.90
Rot. Bonds3

About 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 63259809) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID63259809
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESCC(C)c1ccc(-c2noc(-c3nccnc3N)n2)cc1
InChIInChI=1S/C15H15N5O/c1-9(2)10-3-5-11(6-4-10)14-19-15(21-20-14)12-13(16)18-8-7-17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyLLIYYLFSYIIOQB-UHFFFAOYSA-N
XLogP2.90
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 136984377
(1S)-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144899
2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 155969690
3-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
CID 11485347
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524025
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methylpropyl)triazol-4-amine
CID 94944820
N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62819040
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63259990

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 63259809) is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is CC(C)c1ccc(-c2noc(-c3nccnc3N)n2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is LLIYYLFSYIIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9(2)10-3-5-11(6-4-10)14-19-15(21-20-14)12-13(16)18-8-7-17-12/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 63259809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).