5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C20H23FN4O — CID 25286954

IUPAC5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCCc1ncc(CN2CCc3onc(-c4cccc(F)c4)c3C2)[nH]1
InChIInChI=1S/C20H23FN4O/c1-2-3-7-19-22-11-16(23-19)12-25-9-8-18-17(13-25)20(24-26-18)14-5-4-6-15(21)10-14/h4-6,10-11H,2-3,7-9,12-13H2,1H3,(H,22,23)
InChIKeyLCXFIVAHJFVPOC-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.10
Rot. Bonds6

About 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25286954) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25286954
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCCCc1ncc(CN2CCc3onc(-c4cccc(F)c4)c3C2)[nH]1
InChIInChI=1S/C20H23FN4O/c1-2-3-7-19-22-11-16(23-19)12-25-9-8-18-17(13-25)20(24-26-18)14-5-4-6-15(21)10-14/h4-6,10-11H,2-3,7-9,12-13H2,1H3,(H,22,23)
InChIKeyLCXFIVAHJFVPOC-UHFFFAOYSA-N
XLogP4.10
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
CID 166632650
7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
5-[3-(4-Butyl-phenyl)-isoxazol-5-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
CID 57616056
2-(2,3-Difluoro-phenyl)-5-(3-p-tolyl-isoxazol-5-ylmethyl)-5H-imidazo[4,5-d]pyridazine
CID 57616106
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
3-(Tert-butylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117834596
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25286954) is 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCCCc1ncc(CN2CCc3onc(-c4cccc(F)c4)c3C2)[nH]1.
What is the InChIKey of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is LCXFIVAHJFVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-2-3-7-19-22-11-16(23-19)12-25-9-8-18-17(13-25)20(24-26-18)14-5-4-6-15(21)10-14/h4-6,10-11H,2-3,7-9,12-13H2,1H3,(H,22,23).
What are the key properties of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 354.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25286954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).