[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate

C17H12FN7O3 — CID 175429363

IUPAC[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2noc(Cc3ccc(-c4nn[nH]n4)cc3F)n2)cc1
InChIInChI=1S/C17H12FN7O3/c18-13-7-11(16-21-24-25-22-16)2-1-10(13)8-14-20-15(23-28-14)9-3-5-12(6-4-9)27-17(19)26/h1-7H,8H2,(H2,19,26)(H,21,22,24,25)
InChIKeySHPLBMLMPFOFCV-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.10
Rot. Bonds5

About [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate

[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate (PubChem CID 175429363) has the molecular formula C17H12FN7O3 and a molecular weight of 381.33 g/mol. Its IUPAC name is [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate
PubChem CID175429363
Molecular FormulaC17H12FN7O3
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2noc(Cc3ccc(-c4nn[nH]n4)cc3F)n2)cc1
InChIInChI=1S/C17H12FN7O3/c18-13-7-11(16-21-24-25-22-16)2-1-10(13)8-14-20-15(23-28-14)9-3-5-12(6-4-9)27-17(19)26/h1-7H,8H2,(H2,19,26)(H,21,22,24,25)
InChIKeySHPLBMLMPFOFCV-UHFFFAOYSA-N
XLogP2.10
TPSA145.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(2H-tetrazol-5-yl)phenyl] carbamate
CID 174326535
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
CID 59402941
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678876
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
4-[5-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525086
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18286547
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate?
The IUPAC name of [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate (CID 175429363) is [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate.
What is the SMILES notation for [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate?
The canonical SMILES for [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate is NC(=O)Oc1ccc(-c2noc(Cc3ccc(-c4nn[nH]n4)cc3F)n2)cc1.
What is the InChIKey of [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate?
The InChIKey is SHPLBMLMPFOFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O3/c18-13-7-11(16-21-24-25-22-16)2-1-10(13)8-14-20-15(23-28-14)9-3-5-12(6-4-9)27-17(19)26/h1-7H,8H2,(H2,19,26)(H,21,22,24,25).
What are the key properties of [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate?
[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate has a molecular weight of 381.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate is sourced from PubChem (CID 175429363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).