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

C22H21FN6O2 — CID 123489202

IUPAC4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCc1noc(C)c1-c1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C22H21FN6O2/c1-12-21(13(2)31-27-12)15-5-3-4-14(6-15)7-16(11-20(24)30)17-8-18(10-19(23)9-17)22-25-28-29-26-22/h3-6,8-10,16H,7,11H2,1-2H3,(H2,24,30)(H,25,26,28,29)
InChIKeyVZCQPYSXSPGYOF-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.48
Rot. Bonds7

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

4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 123489202) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID123489202
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCc1noc(C)c1-c1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C22H21FN6O2/c1-12-21(13(2)31-27-12)15-5-3-4-14(6-15)7-16(11-20(24)30)17-8-18(10-19(23)9-17)22-25-28-29-26-22/h3-6,8-10,16H,7,11H2,1-2H3,(H2,24,30)(H,25,26,28,29)
InChIKeyVZCQPYSXSPGYOF-UHFFFAOYSA-N
XLogP3.48
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
CID 169143775
3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazole-5-carboxylic acid
CID 44210002
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49871996
[(1R)-1-(2-fluorophenyl)ethyl] 2-[3-methyl-5-[4-(2H-tetrazol-5-yl)phenyl]-1,2-oxazol-4-yl]acetate
CID 58539570
1,1,1-trifluoro-N-[3-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazol-5-yl]methanesulfonamide
CID 67868977
N-[3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 67869258
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247
5-(4-Fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681746
5-(4-Fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
CID 8685078
5-(4-Fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8685485
4-[2-[[5-(4-Fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide
CID 8996570
5-[[5-(4-Fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
CID 56168049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide (CID 123489202) is 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide is Cc1noc(C)c1-c1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is VZCQPYSXSPGYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-12-21(13(2)31-27-12)15-5-3-4-14(6-15)7-16(11-20(24)30)17-8-18(10-19(23)9-17)22-25-28-29-26-22/h3-6,8-10,16H,7,11H2,1-2H3,(H2,24,30)(H,25,26,28,29).
What are the key properties of 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide?
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 420.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 123489202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).