2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid

C11H14N2O5 — CID 19018541

IUPAC2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid
SMILESCc1ncc(C2=CCCNC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C9H12N2O.C2H2O4/c1-7-11-6-9(12-7)8-3-2-4-10-5-8;3-1(4)2(5)6/h3,6,10H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyKOBFNVQRETXNCK-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.52
Rot. Bonds1

About 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid

2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid (PubChem CID 19018541) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid
PubChem CID19018541
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid
SMILESCc1ncc(C2=CCCNC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C9H12N2O.C2H2O4/c1-7-11-6-9(12-7)8-3-2-4-10-5-8;3-1(4)2(5)6/h3,6,10H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyKOBFNVQRETXNCK-UHFFFAOYSA-N
XLogP0.52
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid?
The IUPAC name of 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid (CID 19018541) is 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid.
What is the SMILES notation for 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid?
The canonical SMILES for 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid is Cc1ncc(C2=CCCNC2)o1.O=C(O)C(=O)O.
What is the InChIKey of 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid?
The InChIKey is KOBFNVQRETXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H2O4/c1-7-11-6-9(12-7)8-3-2-4-10-5-8;3-1(4)2(5)6/h3,6,10H,2,4-5H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid?
2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid has a molecular weight of 254.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole;oxalic acid is sourced from PubChem (CID 19018541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).