6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C13H10ClN3O2 — CID 137373835

IUPAC6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCC(C=O)Cc1ncc(-c2ccc(C#N)nc2Cl)o1
InChIInChI=1S/C13H10ClN3O2/c1-8(7-18)4-12-16-6-11(19-12)10-3-2-9(5-15)17-13(10)14/h2-3,6-8H,4H2,1H3
InChIKeyNCFACPMRKIXLOV-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.64
Rot. Bonds4

About 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137373835) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
PubChem CID137373835
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCC(C=O)Cc1ncc(-c2ccc(C#N)nc2Cl)o1
InChIInChI=1S/C13H10ClN3O2/c1-8(7-18)4-12-16-6-11(19-12)10-3-2-9(5-15)17-13(10)14/h2-3,6-8H,4H2,1H3
InChIKeyNCFACPMRKIXLOV-UHFFFAOYSA-N
XLogP2.64
TPSA79.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 137373540
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261
6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 147743300
6-chloro-5-[1-(2-oxopropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373959
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373546
6-quinolin-7-yl-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137388784
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690347
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
6-chloro-5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374233
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137373835) is 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is CC(C=O)Cc1ncc(-c2ccc(C#N)nc2Cl)o1.
What is the InChIKey of 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is NCFACPMRKIXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-8(7-18)4-12-16-6-11(19-12)10-3-2-9(5-15)17-13(10)14/h2-3,6-8H,4H2,1H3.
What are the key properties of 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 275.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137373835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).