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

C20H18FN7O2 — CID 56568385

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3cc(-n4nnnc4C)ccc3F)o2)cc1
InChIInChI=1S/C20H18FN7O2/c1-12-3-5-14(6-4-12)20-25-24-19(30-20)10-9-18(29)22-17-11-15(7-8-16(17)21)28-13(2)23-26-27-28/h3-8,11H,9-10H2,1-2H3,(H,22,29)
InChIKeyXWJLIGGWMYPIKS-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.04
Rot. Bonds6

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

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 56568385) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID56568385
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3cc(-n4nnnc4C)ccc3F)o2)cc1
InChIInChI=1S/C20H18FN7O2/c1-12-3-5-14(6-4-12)20-25-24-19(30-20)10-9-18(29)22-17-11-15(7-8-16(17)21)28-13(2)23-26-27-28/h3-8,11H,9-10H2,1-2H3,(H,22,29)
InChIKeyXWJLIGGWMYPIKS-UHFFFAOYSA-N
XLogP3.04
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 56568385) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3cc(-n4nnnc4C)ccc3F)o2)cc1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is XWJLIGGWMYPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-12-3-5-14(6-4-12)20-25-24-19(30-20)10-9-18(29)22-17-11-15(7-8-16(17)21)28-13(2)23-26-27-28/h3-8,11H,9-10H2,1-2H3,(H,22,29).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 407.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 56568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).