3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C19H16FN7O2 — CID 86998160

IUPAC3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C19H16FN7O2/c1-12-23-25-26-27(12)17(9-13-5-7-15(20)8-6-13)18(28)22-16-4-2-3-14(10-16)19-24-21-11-29-19/h2-8,10-11,17H,9H2,1H3,(H,22,28)
InChIKeySJKNTYWSJQVXEI-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 86998160) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID86998160
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C19H16FN7O2/c1-12-23-25-26-27(12)17(9-13-5-7-15(20)8-6-13)18(28)22-16-4-2-3-14(10-16)19-24-21-11-29-19/h2-8,10-11,17H,9H2,1H3,(H,22,28)
InChIKeySJKNTYWSJQVXEI-UHFFFAOYSA-N
XLogP2.59
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-(1H-tetrazol-1-yl)phenyl)(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 45540829
1-[4-[(4-Fluorophenyl)methyl-methylamino]butyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-methyltetrazol-5-yl)phenyl]urea
CID 59862578
2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 142439997
1-[4-[(4-Fluorophenyl)methyl-methylamino]butyl]-3-[3-(5-iodo-1,3,4-oxadiazol-2-yl)-5-(1-methyltetrazol-5-yl)phenyl]urea
CID 147734016
4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-1-N-methylbenzene-1,2-diamine
CID 162722696
2-(Difluoromethyl)-5-[3-fluoro-5-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]phenyl]-1,3,4-oxadiazole
CID 164717041
N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
CID 45846157
2-[(4-fluorophenyl)methyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 53526903
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55539477
1-(4-fluorophenyl)-5-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 55557370
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 56469001
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 56568385

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 86998160) is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is SJKNTYWSJQVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-12-23-25-26-27(12)17(9-13-5-7-15(20)8-6-13)18(28)22-16-4-2-3-14(10-16)19-24-21-11-29-19/h2-8,10-11,17H,9H2,1H3,(H,22,28).
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 393.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 86998160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).