3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C14H20N2O2 — CID 143779005

IUPAC3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCC(CCC)n1c(=O)oc2ccc(C)nc21
InChIInChI=1S/C14H20N2O2/c1-4-6-11(7-5-2)16-13-12(18-14(16)17)9-8-10(3)15-13/h8-9,11H,4-7H2,1-3H3
InChIKeyGTSWGZSNLJMANC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.44
Rot. Bonds5

About 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 143779005) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID143779005
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCC(CCC)n1c(=O)oc2ccc(C)nc21
InChIInChI=1S/C14H20N2O2/c1-4-6-11(7-5-2)16-13-12(18-14(16)17)9-8-10(3)15-13/h8-9,11H,4-7H2,1-3H3
InChIKeyGTSWGZSNLJMANC-UHFFFAOYSA-N
XLogP3.44
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 143779005) is 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is CCCC(CCC)n1c(=O)oc2ccc(C)nc21.
What is the InChIKey of 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is GTSWGZSNLJMANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-6-11(7-5-2)16-13-12(18-14(16)17)9-8-10(3)15-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143779005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).