[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol

C14H18N4O3 — CID 25455986

IUPAC[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCOCc1noc(-c2ccc(N3CCC[C@H]3CO)nc2)n1
InChIInChI=1S/C14H18N4O3/c1-20-9-12-16-14(21-17-12)10-4-5-13(15-7-10)18-6-2-3-11(18)8-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyFYCXDQUNSXOFBF-NSHDSACASA-N
MW290.32 g/mol
LogP1.24
Rot. Bonds5

About [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol

[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 25455986) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID25455986
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCOCc1noc(-c2ccc(N3CCC[C@H]3CO)nc2)n1
InChIInChI=1S/C14H18N4O3/c1-20-9-12-16-14(21-17-12)10-4-5-13(15-7-10)18-6-2-3-11(18)8-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyFYCXDQUNSXOFBF-NSHDSACASA-N
XLogP1.24
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 25455986) is [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is COCc1noc(-c2ccc(N3CCC[C@H]3CO)nc2)n1.
What is the InChIKey of [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is FYCXDQUNSXOFBF-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-9-12-16-14(21-17-12)10-4-5-13(15-7-10)18-6-2-3-11(18)8-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 25455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).