5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one

C78H72N12O12 — CID 161472593

IUPAC5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(-c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(-c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(C2CN(c3ccccc3)CCN2c2cccc(O)c2)o1.O=c1[nH]cc(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)o1
InChIInChI=1S/C20H17N3O3.C20H21N3O3.C19H15N3O3.C19H19N3O3/c24-16-8-4-7-15(9-16)12-23-13-22-17(10-14-5-2-1-3-6-14)19(23)18-11-21-20(25)26-18;24-18-8-4-7-16(11-18)23-10-9-22(15-5-2-1-3-6-15)14-17(23)12-19-13-21-20(25)26-19;23-15-8-4-5-13(9-15)11-22-12-21-17(14-6-2-1-3-7-14)18(22)16-10-20-19(24)25-16;23-16-8-4-7-15(11-16)22-10-9-21(14-5-2-1-3-6-14)13-17(22)18-12-20-19(24)25-18/h1-9,11,13,24H,10,12H2,(H,21,25);1-8,11,13,17,24H,9-10,12,14H2,(H,21,25);1-10,12,23H,11H2,(H,20,24);1-8,11-12,17,23H,9-10,13H2,(H,20,24)
InChIKeyWDHALHYGZHVZNI-UHFFFAOYSA-N
MW1369.51 g/mol
LogP11.78
Rot. Bonds16

About 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one

5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one (PubChem CID 161472593) has the molecular formula C78H72N12O12 and a molecular weight of 1369.51 g/mol. Its IUPAC name is 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one
PubChem CID161472593
Molecular FormulaC78H72N12O12
Molecular Weight1369.51 g/mol
Exact Mass1368.54
IUPAC Name5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(-c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(-c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(C2CN(c3ccccc3)CCN2c2cccc(O)c2)o1.O=c1[nH]cc(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)o1
InChIInChI=1S/C20H17N3O3.C20H21N3O3.C19H15N3O3.C19H19N3O3/c24-16-8-4-7-15(9-16)12-23-13-22-17(10-14-5-2-1-3-6-14)19(23)18-11-21-20(25)26-18;24-18-8-4-7-16(11-18)23-10-9-22(15-5-2-1-3-6-15)14-17(23)12-19-13-21-20(25)26-19;23-15-8-4-5-13(9-15)11-22-12-21-17(14-6-2-1-3-7-14)18(22)16-10-20-19(24)25-16;23-16-8-4-7-15(11-16)22-10-9-21(14-5-2-1-3-6-14)13-17(22)18-12-20-19(24)25-18/h1-9,11,13,24H,10,12H2,(H,21,25);1-8,11,13,17,24H,9-10,12,14H2,(H,21,25);1-10,12,23H,11H2,(H,20,24);1-8,11-12,17,23H,9-10,13H2,(H,20,24)
InChIKeyWDHALHYGZHVZNI-UHFFFAOYSA-N
XLogP11.78
TPSA313.52 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001369.51
LogP ≤ 511.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one?
The IUPAC name of 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one (CID 161472593) is 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one is O=c1[nH]cc(-c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(-c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)o1.O=c1[nH]cc(C2CN(c3ccccc3)CCN2c2cccc(O)c2)o1.O=c1[nH]cc(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)o1.
What is the InChIKey of 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one?
The InChIKey is WDHALHYGZHVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C20H21N3O3.C19H15N3O3.C19H19N3O3/c24-16-8-4-7-15(9-16)12-23-13-22-17(10-14-5-2-1-3-6-14)19(23)18-11-21-20(25)26-18;24-18-8-4-7-16(11-18)23-10-9-22(15-5-2-1-3-6-15)14-17(23)12-19-13-21-20(25)26-19;23-15-8-4-5-13(9-15)11-22-12-21-17(14-6-2-1-3-7-14)18(22)16-10-20-19(24)25-16;23-16-8-4-7-15(11-16)22-10-9-21(14-5-2-1-3-6-14)13-17(22)18-12-20-19(24)25-18/h1-9,11,13,24H,10,12H2,(H,21,25);1-8,11,13,17,24H,9-10,12,14H2,(H,21,25);1-10,12,23H,11H2,(H,20,24);1-8,11-12,17,23H,9-10,13H2,(H,20,24).
What are the key properties of 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one?
5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one has a molecular weight of 1369.51 g/mol, XLogP of 11.78, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-3H-1,3-oxazol-2-one;5-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-3H-1,3-oxazol-2-one;5-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-3H-1,3-oxazol-2-one;5-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 161472593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).