N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine

C18H20N4O2 — CID 133484985

IUPACN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCc1ccc(-c2nc(CNc3cncc(OC(C)C)n3)co2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(2)24-17-10-19-9-16(22-17)20-8-15-11-23-18(21-15)14-6-4-13(3)5-7-14/h4-7,9-12H,8H2,1-3H3,(H,20,22)
InChIKeyQRTQFFDSGFCHAJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.84
Rot. Bonds6

About N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine

N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 133484985) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID133484985
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCc1ccc(-c2nc(CNc3cncc(OC(C)C)n3)co2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(2)24-17-10-19-9-16(22-17)20-8-15-11-23-18(21-15)14-6-4-13(3)5-7-14/h4-7,9-12H,8H2,1-3H3,(H,20,22)
InChIKeyQRTQFFDSGFCHAJ-UHFFFAOYSA-N
XLogP3.84
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine (CID 133484985) is N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine is Cc1ccc(-c2nc(CNc3cncc(OC(C)C)n3)co2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is QRTQFFDSGFCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)24-17-10-19-9-16(22-17)20-8-15-11-23-18(21-15)14-6-4-13(3)5-7-14/h4-7,9-12H,8H2,1-3H3,(H,20,22).
What are the key properties of N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine?
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 324.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133484985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).