6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

C29H27N3O5 — CID 24800870

IUPAC6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1
InChIInChI=1S/C29H27N3O5/c33-26(28-30-18-27(37-28)24-2-1-3-25(31-24)29(34)35)13-8-20-4-9-22(10-5-20)23-11-6-21(7-12-23)19-32-14-16-36-17-15-32/h1-7,9-12,18H,8,13-17,19H2,(H,34,35)
InChIKeyFQUUDBPRGWOYTB-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.75
Rot. Bonds9

About 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 24800870) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID24800870
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1
InChIInChI=1S/C29H27N3O5/c33-26(28-30-18-27(37-28)24-2-1-3-25(31-24)29(34)35)13-8-20-4-9-22(10-5-20)23-11-6-21(7-12-23)19-32-14-16-36-17-15-32/h1-7,9-12,18H,8,13-17,19H2,(H,34,35)
InChIKeyFQUUDBPRGWOYTB-UHFFFAOYSA-N
XLogP4.75
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 24800870) is 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is FQUUDBPRGWOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c33-26(28-30-18-27(37-28)24-2-1-3-25(31-24)29(34)35)13-8-20-4-9-22(10-5-20)23-11-6-21(7-12-23)19-32-14-16-36-17-15-32/h1-7,9-12,18H,8,13-17,19H2,(H,34,35).
What are the key properties of 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 497.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24800870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).