[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C23H19FN4O3 — CID 46979992

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C2c3nc[nH]c3CCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H19FN4O3/c1-30-17-8-4-15(5-9-17)22-21-18(25-13-26-21)10-11-28(22)23(29)20-12-19(27-31-20)14-2-6-16(24)7-3-14/h2-9,12-13,22H,10-11H2,1H3,(H,25,26)
InChIKeyCLCZJSAVOOBWMY-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.00
Rot. Bonds4

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 46979992) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID46979992
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C2c3nc[nH]c3CCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H19FN4O3/c1-30-17-8-4-15(5-9-17)22-21-18(25-13-26-21)10-11-28(22)23(29)20-12-19(27-31-20)14-2-6-16(24)7-3-14/h2-9,12-13,22H,10-11H2,1H3,(H,25,26)
InChIKeyCLCZJSAVOOBWMY-UHFFFAOYSA-N
XLogP4.00
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 46979992) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C2c3nc[nH]c3CCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is CLCZJSAVOOBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-30-17-8-4-15(5-9-17)22-21-18(25-13-26-21)10-11-28(22)23(29)20-12-19(27-31-20)14-2-6-16(24)7-3-14/h2-9,12-13,22H,10-11H2,1H3,(H,25,26).
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 418.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46979992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).