3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine

C9H14N2O — CID 84647040

IUPAC3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
SMILESCCCc1noc2c1NCCC2
InChIInChI=1S/C9H14N2O/c1-2-4-7-9-8(12-11-7)5-3-6-10-9/h10H,2-6H2,1H3
InChIKeyLOMUUTIHESGYPN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.99
Rot. Bonds2

About 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine

3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 84647040) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
PubChem CID84647040
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
SMILESCCCc1noc2c1NCCC2
InChIInChI=1S/C9H14N2O/c1-2-4-7-9-8(12-11-7)5-3-6-10-9/h10H,2-6H2,1H3
InChIKeyLOMUUTIHESGYPN-UHFFFAOYSA-N
XLogP1.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 89006897
4-arsoroso-5-methyl-3-propyl-1,2-oxazole
CID 59067329
3-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine
CID 84647022
7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 119085826
6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
CID 142307156
1-(7-propyl-1,2,3,4-tetrahydroquinolin-8-yl)ethanone
CID 101457078
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914
3-propyl-1,2-oxazole-4,5-diamine
CID 69334662
3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
CID 90695712
N-butyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)butan-1-amine
CID 86901941
3-(2-methylsulfanylethyl)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-b]azepine
CID 5217432
(NE)-N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 6364820

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine (CID 84647040) is 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine is CCCc1noc2c1NCCC2.
What is the InChIKey of 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is LOMUUTIHESGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-4-7-9-8(12-11-7)5-3-6-10-9/h10H,2-6H2,1H3.
What are the key properties of 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 166.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84647040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).