5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole

C14H12N2O — CID 95909923

IUPAC5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
SMILESCc1cc(C)c2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C14H12N2O/c1-9-7-10(2)13-12(8-9)16-14(17-13)11-3-5-15-6-4-11/h3-8H,1-2H3
InChIKeyKMFKAOHGQXPFRP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.51
Rot. Bonds1

About 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole

5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole (PubChem CID 95909923) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
PubChem CID95909923
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
SMILESCc1cc(C)c2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C14H12N2O/c1-9-7-10(2)13-12(8-9)16-14(17-13)11-3-5-15-6-4-11/h3-8H,1-2H3
InChIKeyKMFKAOHGQXPFRP-UHFFFAOYSA-N
XLogP3.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole (CID 95909923) is 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole is Cc1cc(C)c2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is KMFKAOHGQXPFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-7-10(2)13-12(8-9)16-14(17-13)11-3-5-15-6-4-11/h3-8H,1-2H3.
What are the key properties of 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole?
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole has a molecular weight of 224.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 95909923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).