2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride

C23H27ClFN5O4 — CID 24785332

IUPAC2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1.Cl
InChIInChI=1S/C23H26FN5O4.ClH/c1-31-20-15-16(26-21(30)17-5-2-3-6-19(17)24)7-8-18(20)22-27-28-23(33-22)25-9-4-10-29-11-13-32-14-12-29;/h2-3,5-8,15H,4,9-14H2,1H3,(H,25,28)(H,26,30);1H
InChIKeyIDXLJCFHQYWQIY-UHFFFAOYSA-N
MW491.95 g/mol
LogP3.69
Rot. Bonds9

About 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride

2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 24785332) has the molecular formula C23H27ClFN5O4 and a molecular weight of 491.95 g/mol. Its IUPAC name is 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
PubChem CID24785332
Molecular FormulaC23H27ClFN5O4
Molecular Weight491.95 g/mol
Exact Mass491.17
IUPAC Name2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1.Cl
InChIInChI=1S/C23H26FN5O4.ClH/c1-31-20-15-16(26-21(30)17-5-2-3-6-19(17)24)7-8-18(20)22-27-28-23(33-22)25-9-4-10-29-11-13-32-14-12-29;/h2-3,5-8,15H,4,9-14H2,1H3,(H,25,28)(H,26,30);1H
InChIKeyIDXLJCFHQYWQIY-UHFFFAOYSA-N
XLogP3.69
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (CID 24785332) is 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1.Cl.
What is the InChIKey of 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The InChIKey is IDXLJCFHQYWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4.ClH/c1-31-20-15-16(26-21(30)17-5-2-3-6-19(17)24)7-8-18(20)22-27-28-23(33-22)25-9-4-10-29-11-13-32-14-12-29;/h2-3,5-8,15H,4,9-14H2,1H3,(H,25,28)(H,26,30);1H.
What are the key properties of 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 491.95 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 24785332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).