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

C24H18FN5O3 — CID 134461376

IUPAC3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)ccc1F
InChIInChI=1S/C24H18FN5O3/c1-32-19-13-15(11-12-17(19)25)23-29-30-24(33-23)28-21-22(31)26-18-10-6-5-9-16(18)20(27-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,26,31)(H,28,30)
InChIKeyHZAGNKIHHRZVNO-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.11
Rot. Bonds5

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

3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461376) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461376
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Name3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)ccc1F
InChIInChI=1S/C24H18FN5O3/c1-32-19-13-15(11-12-17(19)25)23-29-30-24(33-23)28-21-22(31)26-18-10-6-5-9-16(18)20(27-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,26,31)(H,28,30)
InChIKeyHZAGNKIHHRZVNO-UHFFFAOYSA-N
XLogP4.11
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11390631, Example 7a
CID 134461145
US11390631, Example 32
CID 134461211
US11390631, Example 380
CID 134461505
US11390631, Example 201
CID 126497968
US11390631, Example 6
CID 134461077
US11390631, Example 29
CID 134461127
US11390631, Example 50
CID 134461132
US11390631, Example 28
CID 134461137
US11390631, Example 3
CID 134461142
US11390631, Example 230
CID 134461200
US11390631, Example 209
CID 134461349
US11390631, Example 30
CID 134461398

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461376) is 3-[[5-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is COc1cc(-c2nnc(NC3N=C(c4ccccc4)c4ccccc4NC3=O)o2)ccc1F.
What is the InChIKey of 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is HZAGNKIHHRZVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-32-19-13-15(11-12-17(19)25)23-29-30-24(33-23)28-21-22(31)26-18-10-6-5-9-16(18)20(27-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,26,31)(H,28,30).
What are the key properties of 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 443.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).