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

C23H23F3N4O3 — CID 134568740

IUPACN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C23H23F3N4O3/c1-2-19(31)29-11-16(12-29)23(32)30(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)24)21-27-28-22(33-21)20(25)26/h3-10,16,20,22,28H,2,11-13H2,1H3
InChIKeyPEOIGHDHPIOUMQ-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.10
Rot. Bonds7

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

N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide (PubChem CID 134568740) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide
PubChem CID134568740
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1
InChIInChI=1S/C23H23F3N4O3/c1-2-19(31)29-11-16(12-29)23(32)30(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)24)21-27-28-22(33-21)20(25)26/h3-10,16,20,22,28H,2,11-13H2,1H3
InChIKeyPEOIGHDHPIOUMQ-UHFFFAOYSA-N
XLogP3.10
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-N-phenyl-1-propanoylazetidine-3-carboxamide?
The IUPAC name of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide (CID 134568740) is N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide is CCC(=O)N1CC(C(=O)N(Cc2ccc(C3=NNC(C(F)F)O3)cc2F)c2ccccc2)C1.
What is the InChIKey of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide?
The InChIKey is PEOIGHDHPIOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-2-19(31)29-11-16(12-29)23(32)30(17-6-4-3-5-7-17)13-15-9-8-14(10-18(15)24)21-27-28-22(33-21)20(25)26/h3-10,16,20,22,28H,2,11-13H2,1H3.
What are the key properties of N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide?
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-N-phenyl-1-propanoylazetidine-3-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.10, 7 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]-N-phenyl-1-propanoylazetidine-3-carboxamide is sourced from PubChem (CID 134568740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).