pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C16H12N2O3 — CID 842092

IUPACpyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1
InChIInChI=1S/C16H12N2O3/c1-11-14(16(19)20-13-8-5-9-17-10-13)15(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyJTUKUPPGKXAFGS-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.26
Rot. Bonds3

About pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 842092) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID842092
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namepyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1
InChIInChI=1S/C16H12N2O3/c1-11-14(16(19)20-13-8-5-9-17-10-13)15(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyJTUKUPPGKXAFGS-UHFFFAOYSA-N
XLogP3.26
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 842092) is pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is JTUKUPPGKXAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-11-14(16(19)20-13-8-5-9-17-10-13)15(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 842092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).