N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide

C23H26F3N5O2 — CID 171831848

IUPACN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N(Cc1ccc(C2=NNC(C(F)F)O2)cc1F)C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26F3N5O2/c1-15-5-3-4-6-19(15)31(23(32)30-11-9-29(2)10-12-30)14-17-8-7-16(13-18(17)24)21-27-28-22(33-21)20(25)26/h3-8,13,20,22,28H,9-12,14H2,1-2H3
InChIKeyMOONUVQYHGWLED-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.38
Rot. Bonds5

About N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide

N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 171831848) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID171831848
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1N(Cc1ccc(C2=NNC(C(F)F)O2)cc1F)C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26F3N5O2/c1-15-5-3-4-6-19(15)31(23(32)30-11-9-29(2)10-12-30)14-17-8-7-16(13-18(17)24)21-27-28-22(33-21)20(25)26/h3-8,13,20,22,28H,9-12,14H2,1-2H3
InChIKeyMOONUVQYHGWLED-UHFFFAOYSA-N
XLogP3.38
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide
CID 126544256
1-ethyl-N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)azetidine-3-carboxamide
CID 126544257
N-(3-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl]methyl]acetamide
CID 126544262
N-[[4-[(2S)-2-(fluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide
CID 126544549
N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenyl-1-propanoylpiperidine-4-carboxamide
CID 134568530
N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-1-methylsulfanyl-N-phenylpiperidine-4-carboxamide
CID 134568628
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenyl-1-propan-2-ylazetidine-3-carboxamide
CID 134568691
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide
CID 134568740
5-Phenyl-3-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236593
1-methyl-N-phenyl-N-[[4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]azetidine-3-carboxamide
CID 145239504
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-1-ethyl-N-phenylazetidine-3-carboxamide
CID 146659720
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-(3-fluorophenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
CID 146659740

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide (CID 171831848) is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1N(Cc1ccc(C2=NNC(C(F)F)O2)cc1F)C(=O)N1CCN(C)CC1.
What is the InChIKey of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MOONUVQYHGWLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-15-5-3-4-6-19(15)31(23(32)30-11-9-29(2)10-12-30)14-17-8-7-16(13-18(17)24)21-27-28-22(33-21)20(25)26/h3-8,13,20,22,28H,9-12,14H2,1-2H3.
What are the key properties of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide?
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 171831848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).