N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide

C14H17N5O2 — CID 122243743

IUPACN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1cnccn1)C1CCOC1
InChIInChI=1S/C14H17N5O2/c20-14(11-1-8-21-10-11)18-5-7-19-6-4-17-13(19)12-9-15-2-3-16-12/h2-4,6,9,11H,1,5,7-8,10H2,(H,18,20)
InChIKeyXGVPCMUYULEDHM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.49
Rot. Bonds5

About N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide

N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 122243743) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID122243743
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1cnccn1)C1CCOC1
InChIInChI=1S/C14H17N5O2/c20-14(11-1-8-21-10-11)18-5-7-19-6-4-17-13(19)12-9-15-2-3-16-12/h2-4,6,9,11H,1,5,7-8,10H2,(H,18,20)
InChIKeyXGVPCMUYULEDHM-UHFFFAOYSA-N
XLogP0.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide (CID 122243743) is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide is O=C(NCCn1ccnc1-c1cnccn1)C1CCOC1.
What is the InChIKey of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is XGVPCMUYULEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(11-1-8-21-10-11)18-5-7-19-6-4-17-13(19)12-9-15-2-3-16-12/h2-4,6,9,11H,1,5,7-8,10H2,(H,18,20).
What are the key properties of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 122243743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).