(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

C19H20N2O4 — CID 100737404

IUPAC(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C19H20N2O4/c1-23-16-5-2-4-13(8-16)17-10-15(22)12-21(17)11-14-9-19(25-20-14)18-6-3-7-24-18/h2-9,15,17,22H,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyGJNSJUDZBBEOKV-RDJZCZTQSA-N
MW340.38 g/mol
LogP3.25
Rot. Bonds5

About (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 100737404) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID100737404
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C19H20N2O4/c1-23-16-5-2-4-13(8-16)17-10-15(22)12-21(17)11-14-9-19(25-20-14)18-6-3-7-24-18/h2-9,15,17,22H,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyGJNSJUDZBBEOKV-RDJZCZTQSA-N
XLogP3.25
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(3S,5S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481131
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964281
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736655
(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 100737404) is (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is COc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(-c3ccco3)on2)c1.
What is the InChIKey of (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is GJNSJUDZBBEOKV-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-5-2-4-13(8-16)17-10-15(22)12-21(17)11-14-9-19(25-20-14)18-6-3-7-24-18/h2-9,15,17,22H,10-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 340.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 100737404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).