3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole

C12H16N4O — CID 56707825

IUPAC3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
SMILESCC(C)c1cc(C2NCCc3[nH]cnc32)on1
InChIInChI=1S/C12H16N4O/c1-7(2)9-5-10(17-16-9)12-11-8(3-4-13-12)14-6-15-11/h5-7,12-13H,3-4H2,1-2H3,(H,14,15)
InChIKeyBFSZTSIYMDUIPI-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.76
Rot. Bonds2

About 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole

3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole (PubChem CID 56707825) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
PubChem CID56707825
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
SMILESCC(C)c1cc(C2NCCc3[nH]cnc32)on1
InChIInChI=1S/C12H16N4O/c1-7(2)9-5-10(17-16-9)12-11-8(3-4-13-12)14-6-15-11/h5-7,12-13H,3-4H2,1-2H3,(H,14,15)
InChIKeyBFSZTSIYMDUIPI-UHFFFAOYSA-N
XLogP1.76
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylisoxazol-3-yl)methyl 4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxylate
CID 58408392
5-[(3-phenyl-5-isoxazolyl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 70738651
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 72135633
5-Isobutyl-1'-[(5-methylisoxazol-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840440
3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 84585206
(1S*,5R*)-3-[(4-methyl-1H-imidazol-5-yl)methyl]-6-[(3-methylisoxazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133136652
7-[(3-Isobutylisoxazol-5-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56888109
N-[(5-isobutyl-3-isoxazolyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56903047
3-pentan-3-yl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 72000364
3-methyl-5-[[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2-oxazole
CID 72867314
3-phenyl-5-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
CID 95198470
(4R)-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212758

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole (CID 56707825) is 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole is CC(C)c1cc(C2NCCc3[nH]cnc32)on1.
What is the InChIKey of 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole?
The InChIKey is BFSZTSIYMDUIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)9-5-10(17-16-9)12-11-8(3-4-13-12)14-6-15-11/h5-7,12-13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole?
3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole has a molecular weight of 232.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole is sourced from PubChem (CID 56707825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).