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

C24H18F3N5O2 — CID 145236593

IUPAC5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1NC1NN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)16-12-10-15(11-13-16)22-31-32-23(34-22)30-20-21(33)28-18-9-5-4-8-17(18)19(29-20)14-6-2-1-3-7-14/h1-13,20,23,30,32H,(H,28,33)
InChIKeyXHJFAKQONZTXGM-UHFFFAOYSA-N
MW465.44 g/mol
LogP3.68
Rot. Bonds4

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

5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 145236593) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID145236593
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1NC1NN=C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)16-12-10-15(11-13-16)22-31-32-23(34-22)30-20-21(33)28-18-9-5-4-8-17(18)19(29-20)14-6-2-1-3-7-14/h1-13,20,23,30,32H,(H,28,33)
InChIKeyXHJFAKQONZTXGM-UHFFFAOYSA-N
XLogP3.68
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 145236593) is 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-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-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1NC1NN=C(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is XHJFAKQONZTXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c25-24(26,27)16-12-10-15(11-13-16)22-31-32-23(34-22)30-20-21(33)28-18-9-5-4-8-17(18)19(29-20)14-6-2-1-3-7-14/h1-13,20,23,30,32H,(H,28,33).
What are the key properties of 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 465.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 145236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).