3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C23H16FN5O2 — CID 134461142

IUPAC3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C23H16FN5O2/c24-16-10-6-9-15(13-16)22-28-29-23(31-22)27-20-21(30)25-18-12-5-4-11-17(18)19(26-20)14-7-2-1-3-8-14/h1-13,20H,(H,25,30)(H,27,29)
InChIKeyJRHVQBZKHWKVST-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.10
Rot. Bonds4

About 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461142) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461142
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C23H16FN5O2/c24-16-10-6-9-15(13-16)22-28-29-23(31-22)27-20-21(30)25-18-12-5-4-11-17(18)19(26-20)14-7-2-1-3-8-14/h1-13,20H,(H,25,30)(H,27,29)
InChIKeyJRHVQBZKHWKVST-UHFFFAOYSA-N
XLogP4.10
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 5287529
N-(5-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
CID 25023709
2-Fluoro-N-[4-(5-{[3-(4-fluoro-1-piperidinyl)propyl]amino}-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 24782303
N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782550
2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782802
2-fluoro-N-[4-[5-(4-piperidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782805
2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24783056
2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
CID 24785596
2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24785597
4-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24785600
2,6-difluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24785864
2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24786134

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461142) is 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is JRHVQBZKHWKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c24-16-10-6-9-15(13-16)22-28-29-23(31-22)27-20-21(30)25-18-12-5-4-11-17(18)19(26-20)14-7-2-1-3-8-14/h1-13,20H,(H,25,30)(H,27,29).
What are the key properties of 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 413.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).