5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid

C88H78N10O12 — CID 159231107

IUPAC5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2cn(-c3ccccc3)cc2CC(=O)O)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CCc2nn(-c3ccccc3)nc2C(=O)O)c1
InChIInChI=1S/C30H26N2O4.2C29H26N4O4/c1-21-28(31-30(36-21)22-9-4-2-5-10-22)15-16-35-26-14-8-11-23(17-26)27-20-32(19-24(27)18-29(33)34)25-12-6-3-7-13-25;1-20-25(30-28(37-20)22-10-4-2-5-11-22)17-18-36-24-14-8-9-21(19-24)15-16-26-27(29(34)35)32-33(31-26)23-12-6-3-7-13-23;1-20-25(30-29(37-20)22-8-4-2-5-9-22)16-17-36-24-14-12-21(13-15-24)18-26-27(19-28(34)35)32-33(31-26)23-10-6-3-7-11-23/h2-14,17,19-20H,15-16,18H2,1H3,(H,33,34);2-14,19H,15-18H2,1H3,(H,34,35);2-15H,16-19H2,1H3,(H,34,35)
InChIKeyKSXGBDSYAQPBFJ-UHFFFAOYSA-N
MW1467.65 g/mol
LogP16.76
Rot. Bonds29

About 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid

5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid (PubChem CID 159231107) has the molecular formula C88H78N10O12 and a molecular weight of 1467.65 g/mol. Its IUPAC name is 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid
PubChem CID159231107
Molecular FormulaC88H78N10O12
Molecular Weight1467.65 g/mol
Exact Mass1466.58
IUPAC Name5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2cn(-c3ccccc3)cc2CC(=O)O)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CCc2nn(-c3ccccc3)nc2C(=O)O)c1
InChIInChI=1S/C30H26N2O4.2C29H26N4O4/c1-21-28(31-30(36-21)22-9-4-2-5-10-22)15-16-35-26-14-8-11-23(17-26)27-20-32(19-24(27)18-29(33)34)25-12-6-3-7-13-25;1-20-25(30-28(37-20)22-10-4-2-5-11-22)17-18-36-24-14-8-9-21(19-24)15-16-26-27(29(34)35)32-33(31-26)23-12-6-3-7-13-23;1-20-25(30-29(37-20)22-8-4-2-5-9-22)16-17-36-24-14-12-21(13-15-24)18-26-27(19-28(34)35)32-33(31-26)23-10-6-3-7-11-23/h2-14,17,19-20H,15-16,18H2,1H3,(H,33,34);2-14,19H,15-18H2,1H3,(H,34,35);2-15H,16-19H2,1H3,(H,34,35)
InChIKeyKSXGBDSYAQPBFJ-UHFFFAOYSA-N
XLogP16.76
TPSA284.03 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.65
LogP ≤ 516.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid?
The IUPAC name of 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid (CID 159231107) is 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid.
What is the SMILES notation for 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid?
The canonical SMILES for 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)cc1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2cn(-c3ccccc3)cc2CC(=O)O)c1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CCc2nn(-c3ccccc3)nc2C(=O)O)c1.
What is the InChIKey of 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid?
The InChIKey is KSXGBDSYAQPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4.2C29H26N4O4/c1-21-28(31-30(36-21)22-9-4-2-5-10-22)15-16-35-26-14-8-11-23(17-26)27-20-32(19-24(27)18-29(33)34)25-12-6-3-7-13-25;1-20-25(30-28(37-20)22-10-4-2-5-11-22)17-18-36-24-14-8-9-21(19-24)15-16-26-27(29(34)35)32-33(31-26)23-12-6-3-7-13-23;1-20-25(30-29(37-20)22-8-4-2-5-9-22)16-17-36-24-14-12-21(13-15-24)18-26-27(19-28(34)35)32-33(31-26)23-10-6-3-7-11-23/h2-14,17,19-20H,15-16,18H2,1H3,(H,33,34);2-14,19H,15-18H2,1H3,(H,34,35);2-15H,16-19H2,1H3,(H,34,35).
What are the key properties of 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid?
5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid has a molecular weight of 1467.65 g/mol, XLogP of 16.76, 29 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid;2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;2-[4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-phenylpyrrol-3-yl]acetic acid is sourced from PubChem (CID 159231107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).