2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole

C12H14N2O — CID 167038806

IUPAC2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
SMILESCc1cc(-c2nc(C(C)C)co2)ccn1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-15-12(14-11)10-4-5-13-9(3)6-10/h4-8H,1-3H3
InChIKeyDZGWNJDEXSJZPP-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole

2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole (PubChem CID 167038806) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
PubChem CID167038806
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
SMILESCc1cc(-c2nc(C(C)C)co2)ccn1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-15-12(14-11)10-4-5-13-9(3)6-10/h4-8H,1-3H3
InChIKeyDZGWNJDEXSJZPP-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole (CID 167038806) is 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole is Cc1cc(-c2nc(C(C)C)co2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole?
The InChIKey is DZGWNJDEXSJZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)11-7-15-12(14-11)10-4-5-13-9(3)6-10/h4-8H,1-3H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole?
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole has a molecular weight of 202.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 167038806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).