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

C21H16N6O3 — CID 134461267

IUPAC3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)on1
InChIInChI=1S/C21H16N6O3/c1-12-11-16(30-27-12)20-25-26-21(29-20)24-18-19(28)22-15-10-6-5-9-14(15)17(23-18)13-7-3-2-4-8-13/h2-11,18H,1H3,(H,22,28)(H,24,26)
InChIKeyFDHFXBRANJAFNR-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.26
Rot. Bonds4

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

3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461267) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461267
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC Name3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)on1
InChIInChI=1S/C21H16N6O3/c1-12-11-16(30-27-12)20-25-26-21(29-20)24-18-19(28)22-15-10-6-5-9-14(15)17(23-18)13-7-3-2-4-8-13/h2-11,18H,1H3,(H,22,28)(H,24,26)
InChIKeyFDHFXBRANJAFNR-UHFFFAOYSA-N
XLogP3.26
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461267) is 3-[[5-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)on1.
What is the InChIKey of 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is FDHFXBRANJAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c1-12-11-16(30-27-12)20-25-26-21(29-20)24-18-19(28)22-15-10-6-5-9-14(15)17(23-18)13-7-3-2-4-8-13/h2-11,18H,1H3,(H,22,28)(H,24,26).
What are the key properties of 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 400.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).