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

C30H29N3O5 — CID 24800687

IUPACmethyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1
InChIInChI=1S/C30H29N3O5/c1-36-30(35)26-4-2-3-25(32-26)28-19-31-29(38-28)27(34)14-9-21-5-10-23(11-6-21)24-12-7-22(8-13-24)20-33-15-17-37-18-16-33/h2-8,10-13,19H,9,14-18,20H2,1H3
InChIKeyXKMJKGMVRSEJOX-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.84
Rot. Bonds9

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

methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24800687) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24800687
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Namemethyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1
InChIInChI=1S/C30H29N3O5/c1-36-30(35)26-4-2-3-25(32-26)28-19-31-29(38-28)27(34)14-9-21-5-10-23(11-6-21)24-12-7-22(8-13-24)20-33-15-17-37-18-16-33/h2-8,10-13,19H,9,14-18,20H2,1H3
InChIKeyXKMJKGMVRSEJOX-UHFFFAOYSA-N
XLogP4.84
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24800687) is methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3)o2)n1.
What is the InChIKey of methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is XKMJKGMVRSEJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-36-30(35)26-4-2-3-25(32-26)28-19-31-29(38-28)27(34)14-9-21-5-10-23(11-6-21)24-12-7-22(8-13-24)20-33-15-17-37-18-16-33/h2-8,10-13,19H,9,14-18,20H2,1H3.
What are the key properties of methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 511.58 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[3-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24800687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).