3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C16H14F2N4O — CID 30853187

IUPAC3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2noc3c2CN(Cc2ncc[nH]2)CC3)cc1F
InChIInChI=1S/C16H14F2N4O/c17-12-2-1-10(7-13(12)18)16-11-8-22(6-3-14(11)23-21-16)9-15-19-4-5-20-15/h1-2,4-5,7H,3,6,8-9H2,(H,19,20)
InChIKeyOEINTJQYXNKOAW-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.90
Rot. Bonds3

About 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 30853187) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID30853187
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2noc3c2CN(Cc2ncc[nH]2)CC3)cc1F
InChIInChI=1S/C16H14F2N4O/c17-12-2-1-10(7-13(12)18)16-11-8-22(6-3-14(11)23-21-16)9-15-19-4-5-20-15/h1-2,4-5,7H,3,6,8-9H2,(H,19,20)
InChIKeyOEINTJQYXNKOAW-UHFFFAOYSA-N
XLogP2.90
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 30853187) is 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1ccc(-c2noc3c2CN(Cc2ncc[nH]2)CC3)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is OEINTJQYXNKOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-12-2-1-10(7-13(12)18)16-11-8-22(6-3-14(11)23-21-16)9-15-19-4-5-20-15/h1-2,4-5,7H,3,6,8-9H2,(H,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 316.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 30853187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).