N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H16N4O3 — CID 71797927

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H16N4O3/c25-20(15-11-18(27-23-15)17-6-3-9-26-17)22-14-5-1-4-13(10-14)16-12-21-19-7-2-8-24(16)19/h1,3-6,9-12H,2,7-8H2,(H,22,25)
InChIKeyVVTNKYJZPKQGJQ-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.00
Rot. Bonds4

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71797927) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71797927
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H16N4O3/c25-20(15-11-18(27-23-15)17-6-3-9-26-17)22-14-5-1-4-13(10-14)16-12-21-19-7-2-8-24(16)19/h1,3-6,9-12H,2,7-8H2,(H,22,25)
InChIKeyVVTNKYJZPKQGJQ-UHFFFAOYSA-N
XLogP4.00
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 71797927) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VVTNKYJZPKQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20(15-11-18(27-23-15)17-6-3-9-26-17)22-14-5-1-4-13(10-14)16-12-21-19-7-2-8-24(16)19/h1,3-6,9-12H,2,7-8H2,(H,22,25).
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).