N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H19F2N5O2 — CID 50974928

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H19F2N5O2/c1-10-12(11(2)25(3)23-10)7-8-16(26)21-9-15-22-18(27-24-15)17-13(19)5-4-6-14(17)20/h4-6H,7-9H2,1-3H3,(H,21,26)
InChIKeyANZJEPDDEUSNTF-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.61
Rot. Bonds6

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 50974928) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID50974928
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H19F2N5O2/c1-10-12(11(2)25(3)23-10)7-8-16(26)21-9-15-22-18(27-24-15)17-13(19)5-4-6-14(17)20/h4-6H,7-9H2,1-3H3,(H,21,26)
InChIKeyANZJEPDDEUSNTF-UHFFFAOYSA-N
XLogP2.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50961629
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46673381
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118773486
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70704652
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 50974928) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ANZJEPDDEUSNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-10-12(11(2)25(3)23-10)7-8-16(26)21-9-15-22-18(27-24-15)17-13(19)5-4-6-14(17)20/h4-6H,7-9H2,1-3H3,(H,21,26).
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 375.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 50974928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).