(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

C15H22N4O2 — CID 135120600

IUPAC(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(CCc3nccn3C)C[C@H]2O)on1
InChIInChI=1S/C15H22N4O2/c1-11-7-13(21-17-11)8-12-9-19(10-14(12)20)5-3-15-16-4-6-18(15)2/h4,6-7,12,14,20H,3,5,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyDLBZODYQRMBKPR-TZMCWYRMSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds5

About (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 135120600) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID135120600
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(CCc3nccn3C)C[C@H]2O)on1
InChIInChI=1S/C15H22N4O2/c1-11-7-13(21-17-11)8-12-9-19(10-14(12)20)5-3-15-16-4-6-18(15)2/h4,6-7,12,14,20H,3,5,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyDLBZODYQRMBKPR-TZMCWYRMSA-N
XLogP0.79
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-1-[(3-chloro-5-fluorophenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134701101
(3R,4R)-1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134698172
(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
N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
CID 154915713
(3S,4R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134708581
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 134706301
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134700446
(3R,4R)-1-[(6-methoxy-3-pyridinyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134695758
1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 135114259
(3S,4R)-1-[(3-ethenylphenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134711826
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135109516

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (CID 135120600) is (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(CCc3nccn3C)C[C@H]2O)on1.
What is the InChIKey of (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is DLBZODYQRMBKPR-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-7-13(21-17-11)8-12-9-19(10-14(12)20)5-3-15-16-4-6-18(15)2/h4,6-7,12,14,20H,3,5,8-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?
(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 290.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135120600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).