3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C28H24N6O3 — CID 148894230

IUPAC3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOCCn1ccc2cccc(-c3nnc(NC4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c21
InChIInChI=1S/C28H24N6O3/c1-36-17-16-34-15-14-19-10-7-12-21(24(19)34)27-32-33-28(37-27)31-25-26(35)29-22-13-6-5-11-20(22)23(30-25)18-8-3-2-4-9-18/h2-15,25H,16-17H2,1H3,(H,29,35)(H,31,33)
InChIKeyPFNUINPEIBEQMG-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.57
Rot. Bonds7

About 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 148894230) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID148894230
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOCCn1ccc2cccc(-c3nnc(NC4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c21
InChIInChI=1S/C28H24N6O3/c1-36-17-16-34-15-14-19-10-7-12-21(24(19)34)27-32-33-28(37-27)31-25-26(35)29-22-13-6-5-11-20(22)23(30-25)18-8-3-2-4-9-18/h2-15,25H,16-17H2,1H3,(H,29,35)(H,31,33)
InChIKeyPFNUINPEIBEQMG-UHFFFAOYSA-N
XLogP4.57
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

3-[[5-[1-(2-hydroxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236558
(3S)-3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 148797912
(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
3-[[5-[4-[2-methoxyethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461445
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461074
(3R)-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461408
5-phenyl-3-[[5-(2-phenylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142552708
5-phenyl-3-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 159333458
3-[[5-[5-[(dimethylamino)methyl]furan-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461385
3-[[5-[5-(dimethylamino)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461454
(3S)-3-[[5-(6-methoxyquinolin-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461393
(3S)-3-[[5-[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 163857952

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 148894230) is 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-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-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is COCCn1ccc2cccc(-c3nnc(NC4N=C(c5ccccc5)c5ccccc5NC4=O)o3)c21.
What is the InChIKey of 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PFNUINPEIBEQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-36-17-16-34-15-14-19-10-7-12-21(24(19)34)27-32-33-28(37-27)31-25-26(35)29-22-13-6-5-11-20(22)23(30-25)18-8-3-2-4-9-18/h2-15,25H,16-17H2,1H3,(H,29,35)(H,31,33).
What are the key properties of 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 492.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[1-(2-methoxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 148894230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).