3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol

C108H132N24O13S — CID 159510371

About 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol

3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol (PubChem CID 159510371) has the molecular formula C108H132N24O13S and a molecular weight of 2006.47 g/mol. Its IUPAC name is 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

• Compound Name: 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
• PubChem CID: 159510371
• Molecular Formula: C108H132N24O13S
• Molecular Weight: 2006.47 g/mol
• Exact Mass: 2005.01
• IUPAC Name: 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
• SMILES: C=C(N)Cc1c(Cc2c(C)noc2C)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2ccnn2C)ncn1Cc1cccc(O)c1.CC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1.Cc1nc(C)c(N2CCN(c3cccc(O)c3)C(CCC(N)=O)C2)s1.Cc1noc(C)c1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.Cc1noc(C)c1N1CCN(c2cccc(O)c2)C(CCC(N)=O)C1
• InChI: InChI=1S/C19H22N4O2.C18H21N5O.C18H24N4O3.C18H24N4O2S.C18H21N3O3.C17H20N4O2/c1-12(20)7-19-18(9-17-13(2)22-25-14(17)3)21-11-23(19)10-15-5-4-6-16(24)8-15;1-13(19)8-18-17(10-15-6-7-21-22(15)2)20-12-23(18)11-14-4-3-5-16(24)9-14;1-12-18(13(2)25-20-12)21-8-9-22(14-4-3-5-16(23)10-14)15(11-21)6-7-17(19)24;1-12-18(25-13(2)20-12)21-8-9-22(14-4-3-5-16(23)10-14)15(11-21)6-7-17(19)24;1-11(22)7-16-18(17-12(2)20-24-13(17)3)19-10-21(16)9-14-5-4-6-15(23)8-14;1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h4-6,8,11,24H,1,7,9-10,20H2,2-3H3;3-7,9,12,24H,1,8,10-11,19H2,2H3;2*3-5,10,15,23H,6-9,11H2,1-2H3,(H2,19,24);4-6,8,10-11,22-23H,7,9H2,1-3H3;3-7,9,11-12,22-23H,8,10H2,1-2H3
• InChIKey: MANFEVVXKGNSLT-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 510.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.47
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?

The IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol (CID 159510371) is 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol.

What is the SMILES notation for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?

The canonical SMILES for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol is C=C(N)Cc1c(Cc2c(C)noc2C)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2ccnn2C)ncn1Cc1cccc(O)c1.CC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1.Cc1nc(C)c(N2CCN(c3cccc(O)c3)C(CCC(N)=O)C2)s1.Cc1noc(C)c1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.Cc1noc(C)c1N1CCN(c2cccc(O)c2)C(CCC(N)=O)C1.

What is the InChIKey of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?

The InChIKey is MANFEVVXKGNSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.C18H21N5O.C18H24N4O3.C18H24N4O2S.C18H21N3O3.C17H20N4O2/c1-12(20)7-19-18(9-17-13(2)22-25-14(17)3)21-11-23(19)10-15-5-4-6-16(24)8-15;1-13(19)8-18-17(10-15-6-7-21-22(15)2)20-12-23(18)11-14-4-3-5-16(24)9-14;1-12-18(13(2)25-20-12)21-8-9-22(14-4-3-5-16(23)10-14)15(11-21)6-7-17(19)24;1-12-18(25-13(2)20-12)21-8-9-22(14-4-3-5-16(23)10-14)15(11-21)6-7-17(19)24;1-11(22)7-16-18(17-12(2)20-24-13(17)3)19-10-21(16)9-14-5-4-6-15(23)8-14;1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h4-6,8,11,24H,1,7,9-10,20H2,2-3H3;3-7,9,12,24H,1,8,10-11,19H2,2H3;2*3-5,10,15,23H,6-9,11H2,1-2H3,(H2,19,24);4-6,8,10-11,22-23H,7,9H2,1-3H3;3-7,9,11-12,22-23H,8,10H2,1-2H3.

What are the key properties of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol?

3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 2006.47 g/mol, XLogP of 14.00, 32 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(2-methylpyrazol-3-yl)methyl]imidazol-1-yl]methyl]phenol;3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 159510371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).