3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C30H24N4O5 — CID 3091553

IUPAC3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)o3)cc2)c1
InChIInChI=1S/C30H24N4O5/c1-37-25-7-3-5-21(17-25)27(35)31-23-13-9-19(10-14-23)29-33-34-30(39-29)20-11-15-24(16-12-20)32-28(36)22-6-4-8-26(18-22)38-2/h3-18H,1-2H3,(H,31,35)(H,32,36)
InChIKeyDBERLRZDCTYNQN-UHFFFAOYSA-N
MW520.55 g/mol
LogP5.93
Rot. Bonds8

About 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 3091553) has the molecular formula C30H24N4O5 and a molecular weight of 520.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID3091553
Molecular FormulaC30H24N4O5
Molecular Weight520.55 g/mol
Exact Mass520.17
IUPAC Name3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)o3)cc2)c1
InChIInChI=1S/C30H24N4O5/c1-37-25-7-3-5-21(17-25)27(35)31-23-13-9-19(10-14-23)29-33-34-30(39-29)20-11-15-24(16-12-20)32-28(36)22-6-4-8-26(18-22)38-2/h3-18H,1-2H3,(H,31,35)(H,32,36)
InChIKeyDBERLRZDCTYNQN-UHFFFAOYSA-N
XLogP5.93
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 3091553) is 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)o3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is DBERLRZDCTYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O5/c1-37-25-7-3-5-21(17-25)27(35)31-23-13-9-19(10-14-23)29-33-34-30(39-29)20-11-15-24(16-12-20)32-28(36)22-6-4-8-26(18-22)38-2/h3-18H,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 520.55 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[5-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 3091553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).