4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide

C18H18N4O4 — CID 17174256

IUPAC4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1
InChIInChI=1S/C18H18N4O4/c1-24-13-4-2-12(3-5-13)18(23)19-14-6-7-15(17-16(14)20-26-21-17)22-8-10-25-11-9-22/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeySGLJOXDRFVRWKO-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.32
Rot. Bonds4

About 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide

4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide (PubChem CID 17174256) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
PubChem CID17174256
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1
InChIInChI=1S/C18H18N4O4/c1-24-13-4-2-12(3-5-13)18(23)19-14-6-7-15(17-16(14)20-26-21-17)22-8-10-25-11-9-22/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeySGLJOXDRFVRWKO-UHFFFAOYSA-N
XLogP2.32
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
CID 17027218
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide (CID 17174256) is 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1.
What is the InChIKey of 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The InChIKey is SGLJOXDRFVRWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-13-4-2-12(3-5-13)18(23)19-14-6-7-15(17-16(14)20-26-21-17)22-8-10-25-11-9-22/h2-7H,8-11H2,1H3,(H,19,23).
What are the key properties of 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide has a molecular weight of 354.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide is sourced from PubChem (CID 17174256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).