3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide

C23H16FN5O3 — CID 97446333

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)cn1
InChIInChI=1S/C23H16FN5O3/c1-13-9-26-17(10-25-13)11-27-22(30)15-4-7-20-18(8-15)21(29-32-20)19-12-31-23(28-19)14-2-5-16(24)6-3-14/h2-10,12H,11H2,1H3,(H,27,30)
InChIKeyHJXJGZVOKNHECD-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.32
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide (PubChem CID 97446333) has the molecular formula C23H16FN5O3 and a molecular weight of 429.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
PubChem CID97446333
Molecular FormulaC23H16FN5O3
Molecular Weight429.41 g/mol
Exact Mass429.12
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)cn1
InChIInChI=1S/C23H16FN5O3/c1-13-9-26-17(10-25-13)11-27-22(30)15-4-7-20-18(8-15)21(29-32-20)19-12-31-23(28-19)14-2-5-16(24)6-3-14/h2-10,12H,11H2,1H3,(H,27,30)
InChIKeyHJXJGZVOKNHECD-UHFFFAOYSA-N
XLogP4.32
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280179
Piperazine, 1-benzoyl-4-[2-[7-(2-oxazolyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-
CID 5280183
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-2-methylphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196377
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-3-pyridinyl)-N-methylfuro[2,3-c]pyridine-2-carboxamide
CID 134807103
US9822124, Example 28
CID 118644283
N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridin-3-yl}-3-isopropylfuro[3,2-b]pyridine-5-carboxamide
CID 118644385
5-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-2-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 49791144
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide (CID 97446333) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide is Cc1cnc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)cn1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The InChIKey is HJXJGZVOKNHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O3/c1-13-9-26-17(10-25-13)11-27-22(30)15-4-7-20-18(8-15)21(29-32-20)19-12-31-23(28-19)14-2-5-16(24)6-3-14/h2-10,12H,11H2,1H3,(H,27,30).
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).