3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C14H14FN7O2 — CID 50970826

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccccc2F)no1)c1nn[nH]n1
InChIInChI=1S/C14H14FN7O2/c1-8(13-18-21-22-19-13)16-11(23)6-7-12-17-14(20-24-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,23)(H,18,19,21,22)
InChIKeyCWONUHNQDJKYIF-UHFFFAOYSA-N
MW331.31 g/mol
LogP1.20
Rot. Bonds6

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 50970826) has the molecular formula C14H14FN7O2 and a molecular weight of 331.31 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID50970826
Molecular FormulaC14H14FN7O2
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccccc2F)no1)c1nn[nH]n1
InChIInChI=1S/C14H14FN7O2/c1-8(13-18-21-22-19-13)16-11(23)6-7-12-17-14(20-24-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,23)(H,18,19,21,22)
InChIKeyCWONUHNQDJKYIF-UHFFFAOYSA-N
XLogP1.20
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002
(3S)-3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(2-methylphenyl)propanoic acid
CID 71240342
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(4-methoxyphenyl)propanoic acid
CID 71269554
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743
3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 71239934
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056
N-[4-(dimethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330757
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 50970826) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)CCc1nc(-c2ccccc2F)no1)c1nn[nH]n1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is CWONUHNQDJKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7O2/c1-8(13-18-21-22-19-13)16-11(23)6-7-12-17-14(20-24-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,23)(H,18,19,21,22).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 331.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 50970826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).