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

C23H20N8O3S — CID 134461275

IUPAC(3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2nnsc2N2CCOCC2)o1
InChIInChI=1S/C23H20N8O3S/c32-20-19(25-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)24-20)26-23-29-28-21(34-23)18-22(35-30-27-18)31-10-12-33-13-11-31/h1-9,19H,10-13H2,(H,24,32)(H,26,29)/t19-/m1/s1
InChIKeyFWEYUGPWPDSUDH-LJQANCHMSA-N
MW488.53 g/mol
LogP2.65
Rot. Bonds5

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

(3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461275) has the molecular formula C23H20N8O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461275
Molecular FormulaC23H20N8O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC Name(3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2nnsc2N2CCOCC2)o1
InChIInChI=1S/C23H20N8O3S/c32-20-19(25-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)24-20)26-23-29-28-21(34-23)18-22(35-30-27-18)31-10-12-33-13-11-31/h1-9,19H,10-13H2,(H,24,32)(H,26,29)/t19-/m1/s1
InChIKeyFWEYUGPWPDSUDH-LJQANCHMSA-N
XLogP2.65
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-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

(3S)-3-[[5-(2-methoxy-5-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 176511579
3-[[5-(3-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461214
3-[[5-[2-(1-methylcyclobutyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236557
(3S)-3-[[5-(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461485
3-[[5-(5-methylsulfonyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236467
(3R)-3-[[5-(2-fluoro-4-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461456
3-[[5-(6-fluoro-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 126482472
ethane;3-[[5-[2-(5-fluoro-2-pyridinyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142552900
(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
ethane;3-[[5-[5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142552812
4-[4-[5-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 134461561
(3S)-3-[[5-(4-fluoro-3-morpholin-4-yl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461667

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461275) is (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2nnsc2N2CCOCC2)o1.
What is the InChIKey of (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is FWEYUGPWPDSUDH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20N8O3S/c32-20-19(25-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)24-20)26-23-29-28-21(34-23)18-22(35-30-27-18)31-10-12-33-13-11-31/h1-9,19H,10-13H2,(H,24,32)(H,26,29)/t19-/m1/s1.
What are the key properties of (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
(3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 488.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-(5-morpholin-4-ylthiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).