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

C18H21FN2O — CID 124967184

IUPAC2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1cccc(Cc2cnc([C@@H]3CCCN3CC3CC3)o2)c1
InChIInChI=1S/C18H21FN2O/c19-15-4-1-3-14(9-15)10-16-11-20-18(22-16)17-5-2-8-21(17)12-13-6-7-13/h1,3-4,9,11,13,17H,2,5-8,10,12H2/t17-/m0/s1
InChIKeyIRBCWEXNCKEBHV-KRWDZBQOSA-N
MW300.38 g/mol
LogP3.95
Rot. Bonds5

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

2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole (PubChem CID 124967184) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
PubChem CID124967184
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1cccc(Cc2cnc([C@@H]3CCCN3CC3CC3)o2)c1
InChIInChI=1S/C18H21FN2O/c19-15-4-1-3-14(9-15)10-16-11-20-18(22-16)17-5-2-8-21(17)12-13-6-7-13/h1,3-4,9,11,13,17H,2,5-8,10,12H2/t17-/m0/s1
InChIKeyIRBCWEXNCKEBHV-KRWDZBQOSA-N
XLogP3.95
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124985322
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124956667
2-(dimethylamino)-1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125003240
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 125002225
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 125021697
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129455330
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124958190
1-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110119429
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124964152
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110119644
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119921

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole (CID 124967184) is 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole is Fc1cccc(Cc2cnc([C@@H]3CCCN3CC3CC3)o2)c1.
What is the InChIKey of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole?
The InChIKey is IRBCWEXNCKEBHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-15-4-1-3-14(9-15)10-16-11-20-18(22-16)17-5-2-8-21(17)12-13-6-7-13/h1,3-4,9,11,13,17H,2,5-8,10,12H2/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole?
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole has a molecular weight of 300.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole is sourced from PubChem (CID 124967184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).