(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol

C14H20N4O3 — CID 165419673

IUPAC(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol
SMILESCCCc1nnc(N2C[C@@H](Cc3cc(C)no3)[C@@H](O)C2)o1
InChIInChI=1S/C14H20N4O3/c1-3-4-13-15-16-14(20-13)18-7-10(12(19)8-18)6-11-5-9(2)17-21-11/h5,10,12,19H,3-4,6-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyIUXYIKFFWMLZJA-PWSUYJOCSA-N
MW292.34 g/mol
LogP1.36
Rot. Bonds5

About (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol (PubChem CID 165419673) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol
PubChem CID165419673
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol
SMILESCCCc1nnc(N2C[C@@H](Cc3cc(C)no3)[C@@H](O)C2)o1
InChIInChI=1S/C14H20N4O3/c1-3-4-13-15-16-14(20-13)18-7-10(12(19)8-18)6-11-5-9(2)17-21-11/h5,10,12,19H,3-4,6-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyIUXYIKFFWMLZJA-PWSUYJOCSA-N
XLogP1.36
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-1-(5-chloro-2-pyridinyl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134713756
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135110745
(3S,4R)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135114116
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 157017402
1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 135114259
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111947
(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135120600
(3R,4R)-1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134698172
[2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 135091762
(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134700093
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134700446
8-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3,7-dimethylpurine-2,6-dione
CID 135102006

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol (CID 165419673) is (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol is CCCc1nnc(N2C[C@@H](Cc3cc(C)no3)[C@@H](O)C2)o1.
What is the InChIKey of (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is IUXYIKFFWMLZJA-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-4-13-15-16-14(20-13)18-7-10(12(19)8-18)6-11-5-9(2)17-21-11/h5,10,12,19H,3-4,6-8H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol?
(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 292.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 165419673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).