[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

C14H19N5O3 — CID 135118692

IUPAC[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C14H19N5O3/c1-8-4-11(22-17-8)5-10-6-19(7-12(10)21-3)14(20)13-9(2)15-18-16-13/h4,10,12H,5-7H2,1-3H3,(H,15,16,18)/t10-,12+/m1/s1
InChIKeyMATLPOOWPKGRKO-PWSUYJOCSA-N
MW305.34 g/mol
LogP0.74
Rot. Bonds4

About [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone (PubChem CID 135118692) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
PubChem CID135118692
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C14H19N5O3/c1-8-4-11(22-17-8)5-10-6-19(7-12(10)21-3)14(20)13-9(2)15-18-16-13/h4,10,12H,5-7H2,1-3H3,(H,15,16,18)/t10-,12+/m1/s1
InChIKeyMATLPOOWPKGRKO-PWSUYJOCSA-N
XLogP0.74
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-hydroxyphenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135113701
(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134697919
5-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 135090973
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 135097506
4-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 135087596
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 135116419
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134701487
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 134697771
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone
CID 135088062
[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 135096801
[(3S,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(4-thiophen-3-ylnaphthalen-1-yl)methanone
CID 175645822
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135102515

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone (CID 135118692) is [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone is CO[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
The InChIKey is MATLPOOWPKGRKO-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-4-11(22-17-8)5-10-6-19(7-12(10)21-3)14(20)13-9(2)15-18-16-13/h4,10,12H,5-7H2,1-3H3,(H,15,16,18)/t10-,12+/m1/s1.
What are the key properties of [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone?
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone has a molecular weight of 305.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 135118692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).