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

C23H16FN3O4 — CID 97446341

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)o1
InChIInChI=1S/C23H16FN3O4/c1-13-2-8-17(30-13)11-25-22(28)15-5-9-20-18(10-15)21(27-31-20)19-12-29-23(26-19)14-3-6-16(24)7-4-14/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyFSPBHSPLBRDPST-UHFFFAOYSA-N
MW417.40 g/mol
LogP5.12
Rot. Bonds5

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

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide (PubChem CID 97446341) has the molecular formula C23H16FN3O4 and a molecular weight of 417.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
PubChem CID97446341
Molecular FormulaC23H16FN3O4
Molecular Weight417.40 g/mol
Exact Mass417.11
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)o1
InChIInChI=1S/C23H16FN3O4/c1-13-2-8-17(30-13)11-25-22(28)15-5-9-20-18(10-15)21(27-31-20)19-12-29-23(26-19)14-3-6-16(24)7-4-14/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyFSPBHSPLBRDPST-UHFFFAOYSA-N
XLogP5.12
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
N-[(2,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazole-5-carboxamide
CID 97361857
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446337
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
CID 134075410
3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97443273
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide (CID 97446341) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-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-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide is Cc1ccc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)o1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
The InChIKey is FSPBHSPLBRDPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O4/c1-13-2-8-17(30-13)11-25-22(28)15-5-9-20-18(10-15)21(27-31-20)19-12-29-23(26-19)14-3-6-16(24)7-4-14/h2-10,12H,11H2,1H3,(H,25,28).
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).