5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine

C20H26FN3O — CID 14426214

IUPAC5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
SMILESCN1OC(CC2CCCC2)CC1(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-23-20(14-24-11-10-22-15-24,17-6-8-18(21)9-7-17)13-19(25-23)12-16-4-2-3-5-16/h6-11,15-16,19H,2-5,12-14H2,1H3
InChIKeyAVDXFHDINITGNN-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.13
Rot. Bonds5

About 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine

5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine (PubChem CID 14426214) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
PubChem CID14426214
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
SMILESCN1OC(CC2CCCC2)CC1(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-23-20(14-24-11-10-22-15-24,17-6-8-18(21)9-7-17)13-19(25-23)12-16-4-2-3-5-16/h6-11,15-16,19H,2-5,12-14H2,1H3
InChIKeyAVDXFHDINITGNN-UHFFFAOYSA-N
XLogP4.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
CID 86742471
5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 14126012
2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 139663353
1-[[(2R,3S)-3-(2,6-difluorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]imidazole
CID 88507577
[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97127472
3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 14200000
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
CID 21285265
1-(cyclooctylmethyl)imidazole
CID 20550238
1-(imidazol-1-ylmethyl)-4-methylcyclohexan-1-ol
CID 59088177
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine?
The IUPAC name of 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine (CID 14426214) is 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine.
What is the SMILES notation for 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine?
The canonical SMILES for 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine is CN1OC(CC2CCCC2)CC1(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine?
The InChIKey is AVDXFHDINITGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23-20(14-24-11-10-22-15-24,17-6-8-18(21)9-7-17)13-19(25-23)12-16-4-2-3-5-16/h6-11,15-16,19H,2-5,12-14H2,1H3.
What are the key properties of 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine?
5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine has a molecular weight of 343.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine is sourced from PubChem (CID 14426214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).