5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C18H19N3O — CID 94173381

IUPAC5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-14(7-3-1)17-12-20-18(22-17)13-21-11-5-9-16(21)15-8-4-10-19-15/h1-4,6-8,10,12,16,19H,5,9,11,13H2/t16-/m1/s1
InChIKeyHSVNDHDTGYWZGY-MRXNPFEDSA-N
MW293.37 g/mol
LogP4.01
Rot. Bonds4

About 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 94173381) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID94173381
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-14(7-3-1)17-12-20-18(22-17)13-21-11-5-9-16(21)15-8-4-10-19-15/h1-4,6-8,10,12,16,19H,5,9,11,13H2/t16-/m1/s1
InChIKeyHSVNDHDTGYWZGY-MRXNPFEDSA-N
XLogP4.01
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 43013095
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
3-[(4-fluorophenoxy)methyl]-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97238225
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342
3-[2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 94032773
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
1-[(2-chlorophenyl)methyl]-4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 94173381) is 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is c1ccc(-c2cnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1.
What is the InChIKey of 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is HSVNDHDTGYWZGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-14(7-3-1)17-12-20-18(22-17)13-21-11-5-9-16(21)15-8-4-10-19-15/h1-4,6-8,10,12,16,19H,5,9,11,13H2/t16-/m1/s1.
What are the key properties of 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 293.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 94173381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).