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

C21H20ClFN2O — CID 42453219

IUPAC2-(2-chlorophenyl)-4-[[(2R)-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-/m1/s1
InChIKeyCAVIQWYEQGSTFK-HXUWFJFHSA-N
MW370.86 g/mol
LogP5.78
Rot. Bonds4

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

2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42453219) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42453219
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name2-(2-chlorophenyl)-4-[[(2R)-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-/m1/s1
InChIKeyCAVIQWYEQGSTFK-HXUWFJFHSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42453219) is 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[(2R)-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-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is CAVIQWYEQGSTFK-HXUWFJFHSA-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-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[(2R)-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-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42453219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).