N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide

C17H16N4O2 — CID 134369689

IUPACN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1cocn1
InChIInChI=1S/C17H16N4O2/c22-17(15-10-23-11-19-15)18-8-12-3-1-4-13(7-12)14-9-21-6-2-5-16(21)20-14/h1,3-4,7,9-11H,2,5-6,8H2,(H,18,22)
InChIKeyONTJUMDCIUBMGE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds4

About N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 134369689) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID134369689
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1cocn1
InChIInChI=1S/C17H16N4O2/c22-17(15-10-23-11-19-15)18-8-12-3-1-4-13(7-12)14-9-21-6-2-5-16(21)20-14/h1,3-4,7,9-11H,2,5-6,8H2,(H,18,22)
InChIKeyONTJUMDCIUBMGE-UHFFFAOYSA-N
XLogP2.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 134369689) is N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1cccc(-c2cn3c(n2)CCC3)c1)c1cocn1.
What is the InChIKey of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ONTJUMDCIUBMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(15-10-23-11-19-15)18-8-12-3-1-4-13(7-12)14-9-21-6-2-5-16(21)20-14/h1,3-4,7,9-11H,2,5-6,8H2,(H,18,22).
What are the key properties of N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134369689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).