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

C24H17FN4O3 — CID 97446337

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C24H17FN4O3/c1-29(13-18-4-2-3-11-26-18)24(30)16-7-10-21-19(12-16)22(28-32-21)20-14-31-23(27-20)15-5-8-17(25)9-6-15/h2-12,14H,13H2,1H3
InChIKeyWMQAYERHMDDITR-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.96
Rot. Bonds5

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

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446337) has the molecular formula C24H17FN4O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446337
Molecular FormulaC24H17FN4O3
Molecular Weight428.42 g/mol
Exact Mass428.13
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C24H17FN4O3/c1-29(13-18-4-2-3-11-26-18)24(30)16-7-10-21-19(12-16)22(28-32-21)20-14-31-23(27-20)15-5-8-17(25)9-6-15/h2-12,14H,13H2,1H3
InChIKeyWMQAYERHMDDITR-UHFFFAOYSA-N
XLogP4.96
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446288
3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97443273
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
CID 97446341
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
N-[(2,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazole-5-carboxamide
CID 97361857
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide (CID 97446337) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide is CN(Cc1ccccn1)C(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is WMQAYERHMDDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3/c1-29(13-18-4-2-3-11-26-18)24(30)16-7-10-21-19(12-16)22(28-32-21)20-14-31-23(27-20)15-5-8-17(25)9-6-15/h2-12,14H,13H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 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-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).