2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine

C13H18N2O — CID 134301977

IUPAC2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2c(C(C)C)cc(C(C)C)nc2o1
InChIInChI=1S/C13H18N2O/c1-7(2)10-6-11(8(3)4)15-13-12(10)14-9(5)16-13/h6-8H,1-5H3
InChIKeyQNIIMFCBISJWST-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.78
Rot. Bonds2

About 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine

2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 134301977) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID134301977
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1nc2c(C(C)C)cc(C(C)C)nc2o1
InChIInChI=1S/C13H18N2O/c1-7(2)10-6-11(8(3)4)15-13-12(10)14-9(5)16-13/h6-8H,1-5H3
InChIKeyQNIIMFCBISJWST-UHFFFAOYSA-N
XLogP3.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
4-methoxy-2-methyl-6-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine
CID 167500665
6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine
CID 130336662
2,5,7-tri(propan-2-yl)furo[3,2-b]pyridine
CID 134296434
4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol
CID 170652270
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 176754448
1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84655967
2-chloro-3,4-dimethyl-6-propan-2-ylpyridine
CID 135139211
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
2-methyl-5-propan-2-ylfuro[2,3-c]pyridine
CID 155742654
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 134301977) is 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine is Cc1nc2c(C(C)C)cc(C(C)C)nc2o1.
What is the InChIKey of 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is QNIIMFCBISJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-7(2)10-6-11(8(3)4)15-13-12(10)14-9(5)16-13/h6-8H,1-5H3.
What are the key properties of 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine?
2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 218.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 134301977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).