3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H31N5O — CID 160692764

IUPAC3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)N1CCc2nc[nH]c2C1.Cc1noc2c1CCN(C(C)C)C2
InChIInChI=1S/C10H16N2O.C9H15N3/c1-7(2)12-5-4-9-8(3)11-13-10(9)6-12;1-7(2)12-4-3-8-9(5-12)11-6-10-8/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRPPRDQZGWCEINW-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.93
Rot. Bonds2

About 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 160692764) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID160692764
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)N1CCc2nc[nH]c2C1.Cc1noc2c1CCN(C(C)C)C2
InChIInChI=1S/C10H16N2O.C9H15N3/c1-7(2)12-5-4-9-8(3)11-13-10(9)6-12;1-7(2)12-4-3-8-9(5-12)11-6-10-8/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyRPPRDQZGWCEINW-UHFFFAOYSA-N
XLogP2.93
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 160692764) is 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)N1CCc2nc[nH]c2C1.Cc1noc2c1CCN(C(C)C)C2.
What is the InChIKey of 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RPPRDQZGWCEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C9H15N3/c1-7(2)12-5-4-9-8(3)11-13-10(9)6-12;1-7(2)12-4-3-8-9(5-12)11-6-10-8/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 345.49 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 160692764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).