4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C29H30N4O3 — CID 25093466

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4cccc(CN5CCOCC5)c4)cc3)c2)o1
InChIInChI=1S/C29H30N4O3/c1-20-6-7-26(29-32-31-21(2)36-29)17-27(20)24-8-10-25(11-9-24)28(34)30-18-22-4-3-5-23(16-22)19-33-12-14-35-15-13-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,34)
InChIKeyAIQPJPDWXLMWBC-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.78
Rot. Bonds7

About 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 25093466) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID25093466
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4cccc(CN5CCOCC5)c4)cc3)c2)o1
InChIInChI=1S/C29H30N4O3/c1-20-6-7-26(29-32-31-21(2)36-29)17-27(20)24-8-10-25(11-9-24)28(34)30-18-22-4-3-5-23(16-22)19-33-12-14-35-15-13-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,34)
InChIKeyAIQPJPDWXLMWBC-UHFFFAOYSA-N
XLogP4.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 25093466) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4cccc(CN5CCOCC5)c4)cc3)c2)o1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is AIQPJPDWXLMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-20-6-7-26(29-32-31-21(2)36-29)17-27(20)24-8-10-25(11-9-24)28(34)30-18-22-4-3-5-23(16-22)19-33-12-14-35-15-13-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,34).
What are the key properties of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25093466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).