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

C21H15N7O2 — CID 134461209

IUPAC5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cnccn2)o1
InChIInChI=1S/C21H15N7O2/c29-19-18(26-21-28-27-20(30-21)16-12-22-10-11-23-16)25-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)24-19/h1-12,18H,(H,24,29)(H,26,28)
InChIKeyDKSBSFVUUIGHGS-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.75
Rot. Bonds4

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

5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461209) has the molecular formula C21H15N7O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461209
Molecular FormulaC21H15N7O2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cnccn2)o1
InChIInChI=1S/C21H15N7O2/c29-19-18(26-21-28-27-20(30-21)16-12-22-10-11-23-16)25-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)24-19/h1-12,18H,(H,24,29)(H,26,28)
InChIKeyDKSBSFVUUIGHGS-UHFFFAOYSA-N
XLogP2.75
TPSA118.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461209) is 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cnccn2)o1.
What is the InChIKey of 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is DKSBSFVUUIGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2/c29-19-18(26-21-28-27-20(30-21)16-12-22-10-11-23-16)25-17(13-6-2-1-3-7-13)14-8-4-5-9-15(14)24-19/h1-12,18H,(H,24,29)(H,26,28).
What are the key properties of 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 397.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).