N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide

C24H27FN2O4 — CID 11339313

IUPACN-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(CNC(=O)c3ccc(F)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H27FN2O4/c1-24(15-26-23(28)16-7-10-18(25)11-8-16)14-20(27-31-24)17-9-12-21(29-2)22(13-17)30-19-5-3-4-6-19/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,28)
InChIKeyFTODWJKKSMELAG-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.47
Rot. Bonds7

About N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide

N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide (PubChem CID 11339313) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
PubChem CID11339313
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(CNC(=O)c3ccc(F)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H27FN2O4/c1-24(15-26-23(28)16-7-10-18(25)11-8-16)14-20(27-31-24)17-9-12-21(29-2)22(13-17)30-19-5-3-4-6-19/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,28)
InChIKeyFTODWJKKSMELAG-UHFFFAOYSA-N
XLogP4.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide with MolForge

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Related Compounds

methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
CID 53017138
1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-ethoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 59550971
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 59550977
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-N-[(1S)-1-phenylethyl]-4H-1,2-oxazole-5-carboxamide
CID 70093544
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 11304954
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 86616262
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(piperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]-1-piperidin-1-ylethanone
CID 68687679
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide (CID 11339313) is N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide is COc1ccc(C2=NOC(C)(CNC(=O)c3ccc(F)cc3)C2)cc1OC1CCCC1.
What is the InChIKey of N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide?
The InChIKey is FTODWJKKSMELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-24(15-26-23(28)16-7-10-18(25)11-8-16)14-20(27-31-24)17-9-12-21(29-2)22(13-17)30-19-5-3-4-6-19/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide?
N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide has a molecular weight of 426.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 11339313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).