2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole

C21H20ClFN2O — CID 42453226

IUPAC2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O/c1-14-19(24-21(26-14)17-5-2-3-6-18(17)22)13-25-12-4-7-20(25)15-8-10-16(23)11-9-15/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3/t20-/m0/s1
InChIKeyCAVIQWYEQGSTFK-FQEVSTJZSA-N
MW370.86 g/mol
LogP5.78
Rot. Bonds4

About 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42453226) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42453226
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O/c1-14-19(24-21(26-14)17-5-2-3-6-18(17)22)13-25-12-4-7-20(25)15-8-10-16(23)11-9-15/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3/t20-/m0/s1
InChIKeyCAVIQWYEQGSTFK-FQEVSTJZSA-N
XLogP5.78
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453219
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
2-(2,4-difluorophenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45212270
2-(2,4-difluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45203290
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95872581
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
2-(3-chlorophenyl)-4-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45208727
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42453226) is 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is CAVIQWYEQGSTFK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-14-19(24-21(26-14)17-5-2-3-6-18(17)22)13-25-12-4-7-20(25)15-8-10-16(23)11-9-15/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3/t20-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 370.86 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42453226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).