7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

C14H20N2O — CID 91312537

IUPAC7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCCC(C)Cc1cnc(C(C)C)c2ocnc12
InChIInChI=1S/C14H20N2O/c1-5-10(4)6-11-7-15-12(9(2)3)14-13(11)16-8-17-14/h7-10H,5-6H2,1-4H3
InChIKeyAAJHFXWDYKOFDC-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.93
Rot. Bonds4

About 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 91312537) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
PubChem CID91312537
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCCC(C)Cc1cnc(C(C)C)c2ocnc12
InChIInChI=1S/C14H20N2O/c1-5-10(4)6-11-7-15-12(9(2)3)14-13(11)16-8-17-14/h7-10H,5-6H2,1-4H3
InChIKeyAAJHFXWDYKOFDC-UHFFFAOYSA-N
XLogP3.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 91522280
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 114877640
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
4-ethyl-5-[(2R)-2-methylbutyl]pyrimidine
CID 174266206
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
N-butan-2-yl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684952
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (CID 91312537) is 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is CCC(C)Cc1cnc(C(C)C)c2ocnc12.
What is the InChIKey of 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is AAJHFXWDYKOFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10(4)6-11-7-15-12(9(2)3)14-13(11)16-8-17-14/h7-10H,5-6H2,1-4H3.
What are the key properties of 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 91312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).