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

C24H18N4O2 — CID 134461215

IUPAC5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18N4O2/c29-23-22(28-24-25-15-20(30-24)16-9-3-1-4-10-16)27-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-23/h1-15,22H,(H,25,28)(H,26,29)
InChIKeyCXMXMOTWRYXTIK-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.57
Rot. Bonds4

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

5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461215) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461215
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18N4O2/c29-23-22(28-24-25-15-20(30-24)16-9-3-1-4-10-16)27-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-23/h1-15,22H,(H,25,28)(H,26,29)
InChIKeyCXMXMOTWRYXTIK-UHFFFAOYSA-N
XLogP4.57
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461215) is 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1ncc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is CXMXMOTWRYXTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23-22(28-24-25-15-20(30-24)16-9-3-1-4-10-16)27-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-23/h1-15,22H,(H,25,28)(H,26,29).
What are the key properties of 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 394.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).