2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H13F2N5O3 — CID 166213979

IUPAC2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc3c(=O)[nH]cnc3c2)no1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N5O3/c20-11-2-4-12(14(21)8-11)18(27)22-6-5-16-25-17(26-29-16)10-1-3-13-15(7-10)23-9-24-19(13)28/h1-4,7-9H,5-6H2,(H,22,27)(H,23,24,28)
InChIKeyBLZKEELWVWCDBJ-UHFFFAOYSA-N
MW397.34 g/mol
LogP2.22
Rot. Bonds5

About 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 166213979) has the molecular formula C19H13F2N5O3 and a molecular weight of 397.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID166213979
Molecular FormulaC19H13F2N5O3
Molecular Weight397.34 g/mol
Exact Mass397.10
IUPAC Name2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc3c(=O)[nH]cnc3c2)no1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N5O3/c20-11-2-4-12(14(21)8-11)18(27)22-6-5-16-25-17(26-29-16)10-1-3-13-15(7-10)23-9-24-19(13)28/h1-4,7-9H,5-6H2,(H,22,27)(H,23,24,28)
InChIKeyBLZKEELWVWCDBJ-UHFFFAOYSA-N
XLogP2.22
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide with MolForge

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Related Compounds

7-[5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]-3H-quinazolin-4-one
CID 166213998
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
CID 83289766
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 51064745
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323773

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 166213979) is 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccc3c(=O)[nH]cnc3c2)no1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is BLZKEELWVWCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3/c20-11-2-4-12(14(21)8-11)18(27)22-6-5-16-25-17(26-29-16)10-1-3-13-15(7-10)23-9-24-19(13)28/h1-4,7-9H,5-6H2,(H,22,27)(H,23,24,28).
What are the key properties of 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 397.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[3-(4-oxo-3H-quinazolin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166213979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).