3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

C18H19N5O2 — CID 56897357

IUPAC3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCn1ccnc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N5O2/c24-18-22(9-2-14-25-18)13-12-21-11-8-19-17(21)15-3-5-16(6-4-15)23-10-1-7-20-23/h1,3-8,10-11H,2,9,12-14H2
InChIKeySWHDOXSUKDSUKR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds5

About 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (PubChem CID 56897357) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
PubChem CID56897357
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCn1ccnc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N5O2/c24-18-22(9-2-14-25-18)13-12-21-11-8-19-17(21)15-3-5-16(6-4-15)23-10-1-7-20-23/h1,3-8,10-11H,2,9,12-14H2
InChIKeySWHDOXSUKDSUKR-UHFFFAOYSA-N
XLogP2.58
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (CID 56897357) is 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is O=C1OCCCN1CCn1ccnc1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is SWHDOXSUKDSUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18-22(9-2-14-25-18)13-12-21-11-8-19-17(21)15-3-5-16(6-4-15)23-10-1-7-20-23/h1,3-8,10-11H,2,9,12-14H2.
What are the key properties of 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 56897357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).