5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C29H29N3O5 — CID 135514624

IUPAC5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35)
InChIKeyIFYJCWYDVYZPLI-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.67
Rot. Bonds7

About 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 135514624) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID135514624
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35)
InChIKeyIFYJCWYDVYZPLI-UHFFFAOYSA-N
XLogP4.67
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 135514624) is 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IFYJCWYDVYZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35).
What are the key properties of 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135514624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).