2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

C22H24F2N4O3 — CID 42856458

IUPAC2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1
InChIInChI=1S/C22H24F2N4O3/c1-26(13-17-5-3-11-30-17)22(29)19-15-31-20(25-19)14-28-9-7-27(8-10-28)12-16-4-2-6-18(23)21(16)24/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyXBXTYMFSMFLCRW-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.14
Rot. Bonds7

About 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42856458) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42856458
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1
InChIInChI=1S/C22H24F2N4O3/c1-26(13-17-5-3-11-30-17)22(29)19-15-31-20(25-19)14-28-9-7-27(8-10-28)12-16-4-2-6-18(23)21(16)24/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyXBXTYMFSMFLCRW-UHFFFAOYSA-N
XLogP3.14
TPSA65.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
4-[(4-Ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 47025002
N,N-dipentyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770263
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 24817486
N,N-dibutyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770262
N-benzyl-N-ethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770265
1-{[2-(2,4-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 28872132
1-[4-[[2-(3-Fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 36129610
2-[(2,3-difluorophenoxy)methyl]-N-(2-methoxybenzyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 42297339
2-[Furan-2-ylmethyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]acetic acid
CID 44571127
2-[(4-Fluorophenoxy)methyl]-4-{[3-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}-1,3-oxazole
CID 45195221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 42856458) is 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is CN(Cc1ccco1)C(=O)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1.
What is the InChIKey of 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is XBXTYMFSMFLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-26(13-17-5-3-11-30-17)22(29)19-15-31-20(25-19)14-28-9-7-27(8-10-28)12-16-4-2-6-18(23)21(16)24/h2-6,11,15H,7-10,12-14H2,1H3.
What are the key properties of 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).