N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H16FN5O2S — CID 95921973

IUPACN-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccnn1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN5O2S/c1-11-6-7-19-22(11)9-15-20-21-16(24-15)25-10-14(23)18-8-12-2-4-13(17)5-3-12/h2-7H,8-10H2,1H3,(H,18,23)
InChIKeyCTAZNDDNXRXJFI-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.17
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 95921973) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID95921973
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccnn1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN5O2S/c1-11-6-7-19-22(11)9-15-20-21-16(24-15)25-10-14(23)18-8-12-2-4-13(17)5-3-12/h2-7H,8-10H2,1H3,(H,18,23)
InChIKeyCTAZNDDNXRXJFI-UHFFFAOYSA-N
XLogP2.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 95921973) is N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccnn1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CTAZNDDNXRXJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-11-6-7-19-22(11)9-15-20-21-16(24-15)25-10-14(23)18-8-12-2-4-13(17)5-3-12/h2-7H,8-10H2,1H3,(H,18,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 95921973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).