pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

C17H20N4O2 — CID 97405645

IUPACpyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccncc1)N1CCc2onc(CN3CCCC3)c2C1
InChIInChI=1S/C17H20N4O2/c22-17(13-3-6-18-7-4-13)21-10-5-16-14(11-21)15(19-23-16)12-20-8-1-2-9-20/h3-4,6-7H,1-2,5,8-12H2
InChIKeyNAXZEHIZASABAS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.86
Rot. Bonds3

About pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97405645) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID97405645
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namepyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccncc1)N1CCc2onc(CN3CCCC3)c2C1
InChIInChI=1S/C17H20N4O2/c22-17(13-3-6-18-7-4-13)21-10-5-16-14(11-21)15(19-23-16)12-20-8-1-2-9-20/h3-4,6-7H,1-2,5,8-12H2
InChIKeyNAXZEHIZASABAS-UHFFFAOYSA-N
XLogP1.86
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 97410174
[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 131685074
cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97413637
N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114
N,N-dimethyl-3-(sulfanylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
CID 165472082
[4-[(5-chlorothiadiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 56812940
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 97405941
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 97405645) is pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccncc1)N1CCc2onc(CN3CCCC3)c2C1.
What is the InChIKey of pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NAXZEHIZASABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(13-3-6-18-7-4-13)21-10-5-16-14(11-21)15(19-23-16)12-20-8-1-2-9-20/h3-4,6-7H,1-2,5,8-12H2.
What are the key properties of pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[3-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97405645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).