2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde

C9H6N2O2 — CID 115083655

IUPAC2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H6N2O2/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H
InChIKeyDMSZEDQGHXEVDH-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.55
Rot. Bonds2

About 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde

2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde (PubChem CID 115083655) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
PubChem CID115083655
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H6N2O2/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H
InChIKeyDMSZEDQGHXEVDH-UHFFFAOYSA-N
XLogP1.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine
CID 82125165
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
3-pyridin-3-ylfuran-2-carbaldehyde
CID 106886416
2-pyridin-3-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158868
2-methyl-4-pyridin-3-yl-1,3-oxazole
CID 19018561
5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
CID 82411534
2,6-dipyridin-3-ylpyridine
CID 13349632
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
2-fluoro-6-pyridin-3-ylpyridine-3-carbaldehyde
CID 131869800
(5E,6E)-5,6-di(ethylidene)-2-pyridin-3-yl-1,3-benzoxazole-4,7-dione
CID 130314503
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde (CID 115083655) is 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde is O=Cc1coc(-c2cccnc2)n1.
What is the InChIKey of 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde?
The InChIKey is DMSZEDQGHXEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H.
What are the key properties of 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde?
2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 115083655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).