N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

C22H25F4N5O3 — CID 53311653

IUPACN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCN(C)CCC(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25F4N5O3/c1-31(2)11-10-15(17-13-33-20(28-17)14-6-8-16(23)9-7-14)12-27-19(32)5-3-4-18-29-21(34-30-18)22(24,25)26/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,27,32)
InChIKeyBEHMLAPOXCBRAQ-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.06
Rot. Bonds11

About N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 53311653) has the molecular formula C22H25F4N5O3 and a molecular weight of 483.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
PubChem CID53311653
Molecular FormulaC22H25F4N5O3
Molecular Weight483.47 g/mol
Exact Mass483.19
IUPAC NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCN(C)CCC(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25F4N5O3/c1-31(2)11-10-15(17-13-33-20(28-17)14-6-8-16(23)9-7-14)12-27-19(32)5-3-4-18-29-21(34-30-18)22(24,25)26/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,27,32)
InChIKeyBEHMLAPOXCBRAQ-UHFFFAOYSA-N
XLogP4.06
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 53311653) is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is CN(C)CCC(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The InChIKey is BEHMLAPOXCBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N5O3/c1-31(2)11-10-15(17-13-33-20(28-17)14-6-8-16(23)9-7-14)12-27-19(32)5-3-4-18-29-21(34-30-18)22(24,25)26/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,27,32).
What are the key properties of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 483.47 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 53311653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).