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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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
2-(3-Fluoro-5-cyanophenyl)-4-(pyridin-2-yl)-1,3-oxazole
CID 11402852
2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804
Benzyl 2-(4-pyridyl)oxazole-4-carboxylate
CID 46201522
SC-68376
CID 5174
Pyridine, 4-(2-oxazolyl)-
CID 3752778
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid (1-methyl-1-oxazol-2-yl-ethyl)-amide
CID 71105609
5-(Benzyloxy)pyridine-2-carbaldehyde
CID 12397254
Benzyl 2-(2-pyridyl)oxazole-4-carboxylate
CID 46201476
2-Ethynyl-4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-oxazole
CID 76325317
2-Methyl-5-(pyridin-3-yl)oxazole
CID 19018550

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).