N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C25H22F3N5O3 — CID 129032645

IUPACN-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnco2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)15-19-14-30-16-35-19)20(13-18)31-24(34)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,31,34)
InChIKeyKEVBMGQFAZBCGV-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.92
Rot. Bonds6

About N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129032645) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID129032645
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC NameN-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnco2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)15-19-14-30-16-35-19)20(13-18)31-24(34)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,31,34)
InChIKeyKEVBMGQFAZBCGV-UHFFFAOYSA-N
XLogP4.92
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide with MolForge

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Related Compounds

Sphinx31
CID 91972002
SPHINX scaffold, 3
CID 73672854
SPHINX scaffold, 2
CID 73672855
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide
CID 11692969
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129046497
N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 44526848
1-[4-(6-Fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 166630238
N-[4-(furan-2-yl)phenyl]-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 167098836
N-(3,3-Difluorocyclobutyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636715
5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 118464581
N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 118464583
5-pyridin-4-yl-N-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 118464584

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129032645) is N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnco2)CC1)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is KEVBMGQFAZBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)15-19-14-30-16-35-19)20(13-18)31-24(34)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,31,34).
What are the key properties of N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-oxazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129032645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).