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

C21H19N5O — CID 16658984

IUPAC3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)ccc1C1=NCCN1
InChIInChI=1S/C21H19N5O/c1-5-16(20-22-9-10-23-20)6-2-14(1)18-13-19(27-26-18)15-3-7-17(8-4-15)21-24-11-12-25-21/h1-8,13H,9-12H2,(H,22,23)(H,24,25)
InChIKeyBEKBFLRNDJCHGC-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.71
Rot. Bonds4

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

3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole (PubChem CID 16658984) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
PubChem CID16658984
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)ccc1C1=NCCN1
InChIInChI=1S/C21H19N5O/c1-5-16(20-22-9-10-23-20)6-2-14(1)18-13-19(27-26-18)15-3-7-17(8-4-15)21-24-11-12-25-21/h1-8,13H,9-12H2,(H,22,23)(H,24,25)
InChIKeyBEKBFLRNDJCHGC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,2-oxazol-5-yl)aniline
CID 22493280
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
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
3,5-Bis(4-amidinophenyl)isoxazole
CID 439104
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
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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The IUPAC name of 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole (CID 16658984) is 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole is c1cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)ccc1C1=NCCN1.
What is the InChIKey of 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
The InChIKey is BEKBFLRNDJCHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-5-16(20-22-9-10-23-20)6-2-14(1)18-13-19(27-26-18)15-3-7-17(8-4-15)21-24-11-12-25-21/h1-8,13H,9-12H2,(H,22,23)(H,24,25).
What are the key properties of 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole?
3,5-bis[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 3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 16658984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).