N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide

C23H22FN5O3 — CID 11683511

IUPACN-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(COc2ccc(CCCCn3ccnn3)cc2)n1
InChIInChI=1S/C23H22FN5O3/c24-18-6-8-19(9-7-18)26-23(30)21-15-32-22(27-21)16-31-20-10-4-17(5-11-20)3-1-2-13-29-14-12-25-28-29/h4-12,14-15H,1-3,13,16H2,(H,26,30)
InChIKeyPPFBALNAYUBDMN-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.26
Rot. Bonds10

About N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide

N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 11683511) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide
PubChem CID11683511
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(COc2ccc(CCCCn3ccnn3)cc2)n1
InChIInChI=1S/C23H22FN5O3/c24-18-6-8-19(9-7-18)26-23(30)21-15-32-22(27-21)16-31-20-10-4-17(5-11-20)3-1-2-13-29-14-12-25-28-29/h4-12,14-15H,1-3,13,16H2,(H,26,30)
InChIKeyPPFBALNAYUBDMN-UHFFFAOYSA-N
XLogP4.26
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 11568677
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-thiazole-2-carboxamide
CID 11592140
2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 142575697
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 56746715
4-tert-butyl-N-[4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-thiazol-2-yl]benzamide
CID 11569411
2-[2-(2-chlorophenyl)ethenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 175067150
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
2-[(E)-2-pyridin-2-ylethenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 142575792
N-prop-2-ynyl-4-[2-[4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazol-2-yl]ethenyl]benzamide
CID 175063422
N-[4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-thiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 11713521
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051611

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide (CID 11683511) is N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1coc(COc2ccc(CCCCn3ccnn3)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PPFBALNAYUBDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-18-6-8-19(9-7-18)26-23(30)21-15-32-22(27-21)16-31-20-10-4-17(5-11-20)3-1-2-13-29-14-12-25-28-29/h4-12,14-15H,1-3,13,16H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide?
N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11683511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).