4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile

C25H17N5O2 — CID 134461262

IUPAC4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)cc1
InChIInChI=1S/C25H17N5O2/c26-14-16-10-12-17(13-11-16)21-15-27-25(32-21)30-23-24(31)28-20-9-5-4-8-19(20)22(29-23)18-6-2-1-3-7-18/h1-13,15,23H,(H,27,30)(H,28,31)
InChIKeyCSFDRNFBOKMLKQ-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.44
Rot. Bonds4

About 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile

4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 134461262) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile
PubChem CID134461262
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)cc1
InChIInChI=1S/C25H17N5O2/c26-14-16-10-12-17(13-11-16)21-15-27-25(32-21)30-23-24(31)28-20-9-5-4-8-19(20)22(29-23)18-6-2-1-3-7-18/h1-13,15,23H,(H,27,30)(H,28,31)
InChIKeyCSFDRNFBOKMLKQ-UHFFFAOYSA-N
XLogP4.44
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile (CID 134461262) is 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)cc1.
What is the InChIKey of 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile?
The InChIKey is CSFDRNFBOKMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/c26-14-16-10-12-17(13-11-16)21-15-27-25(32-21)30-23-24(31)28-20-9-5-4-8-19(20)22(29-23)18-6-2-1-3-7-18/h1-13,15,23H,(H,27,30)(H,28,31).
What are the key properties of 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile?
4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 419.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 134461262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).