3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

C23H16N4O3 — CID 97443263

IUPAC3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H16N4O3/c28-22(25-13-15-5-4-10-24-12-15)17-8-9-20-18(11-17)21(27-30-20)19-14-29-23(26-19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,25,28)
InChIKeyUTBHNXOCSLUCCU-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.47
Rot. Bonds5

About 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97443263) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97443263
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H16N4O3/c28-22(25-13-15-5-4-10-24-12-15)17-8-9-20-18(11-17)21(27-30-20)19-14-29-23(26-19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,25,28)
InChIKeyUTBHNXOCSLUCCU-UHFFFAOYSA-N
XLogP4.47
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.47
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
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446299
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
CID 97446341
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (CID 97443263) is 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is O=C(NCc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is UTBHNXOCSLUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-22(25-13-15-5-4-10-24-12-15)17-8-9-20-18(11-17)21(27-30-20)19-14-29-23(26-19)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,25,28).
What are the key properties of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97443263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).