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

C18H18N4O3 — CID 17173694

IUPAC2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C18H18N4O3/c1-12-4-2-3-5-13(12)18(23)19-14-6-7-15(17-16(14)20-25-21-17)22-8-10-24-11-9-22/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeyCLBXEEXEPBMGPR-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.62
Rot. Bonds3

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

2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide (PubChem CID 17173694) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
PubChem CID17173694
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C18H18N4O3/c1-12-4-2-3-5-13(12)18(23)19-14-6-7-15(17-16(14)20-25-21-17)22-8-10-24-11-9-22/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeyCLBXEEXEPBMGPR-UHFFFAOYSA-N
XLogP2.62
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
(2S)-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-2-phenylbutanamide
CID 27519968
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide (CID 17173694) is 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
The InChIKey is CLBXEEXEPBMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-4-2-3-5-13(12)18(23)19-14-6-7-15(17-16(14)20-25-21-17)22-8-10-24-11-9-22/h2-7H,8-11H2,1H3,(H,19,23).
What are the key properties of 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide?
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide is sourced from PubChem (CID 17173694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).