N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

C19H16F3N3O4 — CID 55782284

IUPACN-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O4/c1-10-14(11(2)29-25-10)8-17(26)24-16-4-3-13(7-15(16)19(20,21)22)23-18(27)12-5-6-28-9-12/h3-7,9H,8H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIFOLVEAPXACEEX-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 55782284) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID55782284
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC NameN-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O4/c1-10-14(11(2)29-25-10)8-17(26)24-16-4-3-13(7-15(16)19(20,21)22)23-18(27)12-5-6-28-9-12/h3-7,9H,8H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyIFOLVEAPXACEEX-UHFFFAOYSA-N
XLogP4.34
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781962
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
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-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78886996
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
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 78802108
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 55782284) is N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is IFOLVEAPXACEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-10-14(11(2)29-25-10)8-17(26)24-16-4-3-13(7-15(16)19(20,21)22)23-18(27)12-5-6-28-9-12/h3-7,9H,8H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 55782284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).