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

C15H20N4O3 — CID 4088765

IUPACN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C15H20N4O3/c1-2-3-4-13(20)16-11-5-6-12(15-14(11)17-22-18-15)19-7-9-21-10-8-19/h5-6H,2-4,7-10H2,1H3,(H,16,20)
InChIKeySULZDACAKLJTRO-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.19
Rot. Bonds5

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

N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide (PubChem CID 4088765) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
PubChem CID4088765
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C15H20N4O3/c1-2-3-4-13(20)16-11-5-6-12(15-14(11)17-22-18-15)19-7-9-21-10-8-19/h5-6H,2-4,7-10H2,1H3,(H,16,20)
InChIKeySULZDACAKLJTRO-UHFFFAOYSA-N
XLogP2.19
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-2-phenylbutanamide
CID 27519968
1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-prop-2-enylthiourea
CID 17266654
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
1-cyclopropyl-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17380861
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
(1R,2S,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124722411
(1S,2R,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706351

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide?
The IUPAC name of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide (CID 4088765) is N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide.
What is the SMILES notation for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide?
The canonical SMILES for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide is CCCCC(=O)Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide?
The InChIKey is SULZDACAKLJTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-3-4-13(20)16-11-5-6-12(15-14(11)17-22-18-15)19-7-9-21-10-8-19/h5-6H,2-4,7-10H2,1H3,(H,16,20).
What are the key properties of N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide?
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide has a molecular weight of 304.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide is sourced from PubChem (CID 4088765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).