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

C13H15N3O2 — CID 97405891

IUPAC[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
SMILESOCc1noc2c1CN(Cc1ccccn1)CC2
InChIInChI=1S/C13H15N3O2/c17-9-12-11-8-16(6-4-13(11)18-15-12)7-10-3-1-2-5-14-10/h1-3,5,17H,4,6-9H2
InChIKeyTUWKOEAMRNYFNG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.12
Rot. Bonds3

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

[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol (PubChem CID 97405891) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
PubChem CID97405891
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
SMILESOCc1noc2c1CN(Cc1ccccn1)CC2
InChIInChI=1S/C13H15N3O2/c17-9-12-11-8-16(6-4-13(11)18-15-12)7-10-3-1-2-5-14-10/h1-3,5,17H,4,6-9H2
InChIKeyTUWKOEAMRNYFNG-UHFFFAOYSA-N
XLogP1.12
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol with MolForge

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Related Compounds

[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
CID 155871563
2-pyridin-2-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931669
[1-methyl-5-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77093768
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
1,3-diethyl-5-(pyridin-2-ylmethyl)-1,3,5-triazinane
CID 12969619
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
6-(pyridin-2-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916430
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345

Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol?
The IUPAC name of [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol (CID 97405891) is [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol is OCc1noc2c1CN(Cc1ccccn1)CC2.
What is the InChIKey of [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol?
The InChIKey is TUWKOEAMRNYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-12-11-8-16(6-4-13(11)18-15-12)7-10-3-1-2-5-14-10/h1-3,5,17H,4,6-9H2.
What are the key properties of [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol?
[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol has a molecular weight of 245.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol is sourced from PubChem (CID 97405891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).