6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile

C16H12N4O3 — CID 66718158

IUPAC6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCc2c(-c3ccccn3)noc2CO)nc1
InChIInChI=1S/C16H12N4O3/c17-7-11-4-5-15(19-8-11)22-10-12-14(9-21)23-20-16(12)13-3-1-2-6-18-13/h1-6,8,21H,9-10H2
InChIKeyJZPGQXXVAMGNKC-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.07
Rot. Bonds5

About 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile

6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 66718158) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID66718158
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCc2c(-c3ccccn3)noc2CO)nc1
InChIInChI=1S/C16H12N4O3/c17-7-11-4-5-15(19-8-11)22-10-12-14(9-21)23-20-16(12)13-3-1-2-6-18-13/h1-6,8,21H,9-10H2
InChIKeyJZPGQXXVAMGNKC-UHFFFAOYSA-N
XLogP2.07
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile (CID 66718158) is 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile is N#Cc1ccc(OCc2c(-c3ccccn3)noc2CO)nc1.
What is the InChIKey of 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is JZPGQXXVAMGNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-7-11-4-5-15(19-8-11)22-10-12-14(9-21)23-20-16(12)13-3-1-2-6-18-13/h1-6,8,21H,9-10H2.
What are the key properties of 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile?
6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 308.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 66718158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).