[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane

C16H18N4O2 — CID 142827331

IUPAC[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane
SMILESCC.Nc1ncc(-c2cccc(CO)c2)nc1-c1cnco1
InChIInChI=1S/C14H12N4O2.C2H6/c15-14-13(12-6-16-8-20-12)18-11(5-17-14)10-3-1-2-9(4-10)7-19;1-2/h1-6,8,19H,7H2,(H2,15,17);1-2H3
InChIKeyUTBWBXRSWACJAQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.90
Rot. Bonds3

About [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane

[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane (PubChem CID 142827331) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane.

Molecular Properties

Compound Name[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane
PubChem CID142827331
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane
SMILESCC.Nc1ncc(-c2cccc(CO)c2)nc1-c1cnco1
InChIInChI=1S/C14H12N4O2.C2H6/c15-14-13(12-6-16-8-20-12)18-11(5-17-14)10-3-1-2-9(4-10)7-19;1-2/h1-6,8,19H,7H2,(H2,15,17);1-2H3
InChIKeyUTBWBXRSWACJAQ-UHFFFAOYSA-N
XLogP2.90
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane?
The IUPAC name of [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane (CID 142827331) is [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane.
What is the SMILES notation for [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane?
The canonical SMILES for [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane is CC.Nc1ncc(-c2cccc(CO)c2)nc1-c1cnco1.
What is the InChIKey of [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane?
The InChIKey is UTBWBXRSWACJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2.C2H6/c15-14-13(12-6-16-8-20-12)18-11(5-17-14)10-3-1-2-9(4-10)7-19;1-2/h1-6,8,19H,7H2,(H2,15,17);1-2H3.
What are the key properties of [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane?
[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane has a molecular weight of 298.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane is sourced from PubChem (CID 142827331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).