3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide

C20H17FN6O2 — CID 123225324

IUPAC3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide
SMILESNC(=O)CC(Cc1ccc(-c2cnoc2)cc1)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C20H17FN6O2/c21-18-7-15(6-16(8-18)20-24-26-27-25-20)14(9-19(22)28)5-12-1-3-13(4-2-12)17-10-23-29-11-17/h1-4,6-8,10-11,14H,5,9H2,(H2,22,28)(H,24,25,26,27)
InChIKeyJPCGAPYDRPBONV-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.86
Rot. Bonds7

About 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide

3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide (PubChem CID 123225324) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide
PubChem CID123225324
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide
SMILESNC(=O)CC(Cc1ccc(-c2cnoc2)cc1)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C20H17FN6O2/c21-18-7-15(6-16(8-18)20-24-26-27-25-20)14(9-19(22)28)5-12-1-3-13(4-2-12)17-10-23-29-11-17/h1-4,6-8,10-11,14H,5,9H2,(H2,22,28)(H,24,25,26,27)
InChIKeyJPCGAPYDRPBONV-UHFFFAOYSA-N
XLogP2.86
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide (CID 123225324) is 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide is NC(=O)CC(Cc1ccc(-c2cnoc2)cc1)c1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide?
The InChIKey is JPCGAPYDRPBONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c21-18-7-15(6-16(8-18)20-24-26-27-25-20)14(9-19(22)28)5-12-1-3-13(4-2-12)17-10-23-29-11-17/h1-4,6-8,10-11,14H,5,9H2,(H2,22,28)(H,24,25,26,27).
What are the key properties of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide?
3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide has a molecular weight of 392.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 123225324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).