N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

C21H21F3N4O4 — CID 55781962

IUPACN-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O4/c1-20(2,3)19-27-17(32-28-19)7-6-16(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(30)12-8-9-31-11-12/h4-5,8-11H,6-7H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyYFCZFKCJZBIEEW-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.80
Rot. Bonds6

About N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 55781962) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID55781962
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC NameN-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O4/c1-20(2,3)19-27-17(32-28-19)7-6-16(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(30)12-8-9-31-11-12/h4-5,8-11H,6-7H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyYFCZFKCJZBIEEW-UHFFFAOYSA-N
XLogP4.80
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55874116
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55782285
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 55781962) is N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is CC(C)(C)c1noc(CCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is YFCZFKCJZBIEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-20(2,3)19-27-17(32-28-19)7-6-16(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(30)12-8-9-31-11-12/h4-5,8-11H,6-7H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 55781962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).