N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide

C23H26N2O6 — CID 23147361

IUPACN-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCC(O)CO
InChIInChI=1S/C23H26N2O6/c1-2-16-17(21(19(29)10-18(16)28)14-6-4-3-5-7-14)8-9-20-22(25-13-31-20)23(30)24-11-15(27)12-26/h3-7,10,13,15,26-29H,2,8-9,11-12H2,1H3,(H,24,30)
InChIKeyZKSHYMBMNSFMSB-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.18
Rot. Bonds9

About N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide

N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 23147361) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID23147361
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC NameN-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCC(O)CO
InChIInChI=1S/C23H26N2O6/c1-2-16-17(21(19(29)10-18(16)28)14-6-4-3-5-7-14)8-9-20-22(25-13-31-20)23(30)24-11-15(27)12-26/h3-7,10,13,15,26-29H,2,8-9,11-12H2,1H3,(H,24,30)
InChIKeyZKSHYMBMNSFMSB-UHFFFAOYSA-N
XLogP2.18
TPSA136.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 23147361) is N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide is CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZKSHYMBMNSFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-2-16-17(21(19(29)10-18(16)28)14-6-4-3-5-7-14)8-9-20-22(25-13-31-20)23(30)24-11-15(27)12-26/h3-7,10,13,15,26-29H,2,8-9,11-12H2,1H3,(H,24,30).
What are the key properties of N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.18, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23147361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).