4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

C22H24FN3O — CID 58951493

IUPAC4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3cccnc3)cc2)nc1CCN1CC[C@@H](CF)C1
InChIInChI=1S/C22H24FN3O/c1-16-21(9-12-26-11-8-17(13-23)15-26)25-22(27-16)19-6-4-18(5-7-19)20-3-2-10-24-14-20/h2-7,10,14,17H,8-9,11-13,15H2,1H3/t17-/m0/s1
InChIKeySCJLUGJDDYFROV-KRWDZBQOSA-N
MW365.45 g/mol
LogP4.55
Rot. Bonds6

About 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole

4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (PubChem CID 58951493) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
PubChem CID58951493
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3cccnc3)cc2)nc1CCN1CC[C@@H](CF)C1
InChIInChI=1S/C22H24FN3O/c1-16-21(9-12-26-11-8-17(13-23)15-26)25-22(27-16)19-6-4-18(5-7-19)20-3-2-10-24-14-20/h2-7,10,14,17H,8-9,11-13,15H2,1H3/t17-/m0/s1
InChIKeySCJLUGJDDYFROV-KRWDZBQOSA-N
XLogP4.55
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole (CID 58951493) is 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3cccnc3)cc2)nc1CCN1CC[C@@H](CF)C1.
What is the InChIKey of 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
The InChIKey is SCJLUGJDDYFROV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16-21(9-12-26-11-8-17(13-23)15-26)25-22(27-16)19-6-4-18(5-7-19)20-3-2-10-24-14-20/h2-7,10,14,17H,8-9,11-13,15H2,1H3/t17-/m0/s1.
What are the key properties of 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole?
4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole has a molecular weight of 365.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2-(4-pyridin-3-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58951493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).