[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone

C17H23N5O3 — CID 124980948

IUPAC[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)no2)cn1
InChIInChI=1S/C17H23N5O3/c1-20-10-13(9-18-20)15-8-14(19-25-15)16(23)22-7-4-17(24,12-22)11-21-5-2-3-6-21/h8-10,24H,2-7,11-12H2,1H3/t17-/m1/s1
InChIKeyMMOYVXVCIDWUIU-QGZVFWFLSA-N
MW345.40 g/mol
LogP0.75
Rot. Bonds4

About [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone

[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 124980948) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
PubChem CID124980948
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCn1cc(-c2cc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)no2)cn1
InChIInChI=1S/C17H23N5O3/c1-20-10-13(9-18-20)15-8-14(19-25-15)16(23)22-7-4-17(24,12-22)11-21-5-2-3-6-21/h8-10,24H,2-7,11-12H2,1H3/t17-/m1/s1
InChIKeyMMOYVXVCIDWUIU-QGZVFWFLSA-N
XLogP0.75
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125001962
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125006220
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124991930
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124954418
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124982202
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70771089
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124956840
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 127245263
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124978991

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone (CID 124980948) is [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone is Cn1cc(-c2cc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)no2)cn1.
What is the InChIKey of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is MMOYVXVCIDWUIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-20-10-13(9-18-20)15-8-14(19-25-15)16(23)22-7-4-17(24,12-22)11-21-5-2-3-6-21/h8-10,24H,2-7,11-12H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 124980948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).