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

C23H27FN4O2 — CID 134568691

IUPACN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenyl-1-propan-2-ylazetidine-3-carboxamide
SMILESCC1NN=C(c2ccc(CN(C(=O)C3CN(C(C)C)C3)c3ccccc3)c(F)c2)O1
InChIInChI=1S/C23H27FN4O2/c1-15(2)27-12-19(13-27)23(29)28(20-7-5-4-6-8-20)14-18-10-9-17(11-21(18)24)22-26-25-16(3)30-22/h4-11,15-16,19,25H,12-14H2,1-3H3
InChIKeyHBZFSUYEKPVNGN-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.33
Rot. Bonds6

About 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

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 (PubChem CID 134568691) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenyl-1-propan-2-ylazetidine-3-carboxamide
PubChem CID134568691
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenyl-1-propan-2-ylazetidine-3-carboxamide
SMILESCC1NN=C(c2ccc(CN(C(=O)C3CN(C(C)C)C3)c3ccccc3)c(F)c2)O1
InChIInChI=1S/C23H27FN4O2/c1-15(2)27-12-19(13-27)23(29)28(20-7-5-4-6-8-20)14-18-10-9-17(11-21(18)24)22-26-25-16(3)30-22/h4-11,15-16,19,25H,12-14H2,1-3H3
InChIKeyHBZFSUYEKPVNGN-UHFFFAOYSA-N
XLogP3.33
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide
CID 22576942
3-Acetyl-5-(4-fluorophenyl)-2-[2-(4-(dimethylamino)phenyl) ethenyl]-2,3-dihydro-1,3,4-oxadiazole
CID 129885395
1-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 76322615
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
3-fluoroprop-1-en-2-yl (1Z)-3-fluoro-4-[(3-fluoro-N-(1-propylazetidine-3-carbonyl)anilino)methyl]benzenecarbohydrazonate
CID 126544258
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-[(2R)-5-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-(2-methylpropanoyl)-N-phenylazetidine-3-carboxamide
CID 126544442
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-(3-methylphenyl)-1-(2-methylpropanoyl)azetidine-3-carboxamide
CID 134568665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1NN=C(c2ccc(CN(C(=O)C3CN(C(C)C)C3)c3ccccc3)c(F)c2)O1.
What is the InChIKey of 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?
The InChIKey is HBZFSUYEKPVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15(2)27-12-19(13-27)23(29)28(20-7-5-4-6-8-20)14-18-10-9-17(11-21(18)24)22-26-25-16(3)30-22/h4-11,15-16,19,25H,12-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 410.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134568691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).