5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole

C21H19N5O — CID 11990715

IUPAC5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
SMILESc1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H19N5O/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25)
InChIKeyQCGVWURENBVVQG-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.71
Rot. Bonds4

About 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole

5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole (PubChem CID 11990715) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
PubChem CID11990715
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
SMILESc1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H19N5O/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25)
InChIKeyQCGVWURENBVVQG-UHFFFAOYSA-N
XLogP2.71
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-Carbamimidoylphenyl)isoxazol-5-yl]benzamidine
CID 9966266
3-[5-(4-Carbamimidoylphenyl)isoxazol-3-yl]benzamidine
CID 11483558
3,5-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 11990689
N'-propan-2-yl-3-[3-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
CID 11990690
3-[5-(3-Carbamimidoylphenyl)isoxazol-3-yl]benzamidine
CID 11990691
N'-propan-2-yl-3-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
CID 11990716
N'-propan-2-yl-3-[5-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-3-yl]benzenecarboximidamide
CID 11990739
N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
CID 11990767
3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16658984
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16659118
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2-oxazol-5-yl)aniline
CID 22493349
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)isoxazol-3-yl)benzamide
CID 51346850

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole (CID 11990715) is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole is c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1.
What is the InChIKey of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The InChIKey is QCGVWURENBVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25).
What are the key properties of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole has a molecular weight of 357.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 11990715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).