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

C24H18N4O3 — CID 97443273

IUPAC3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H18N4O3/c29-23(26-13-11-18-8-4-5-12-25-18)17-9-10-21-19(14-17)22(28-31-21)20-15-30-24(27-20)16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2,(H,26,29)
InChIKeyGQTAPRCZMMDSJU-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.52
Rot. Bonds6

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

3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97443273) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97443273
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H18N4O3/c29-23(26-13-11-18-8-4-5-12-25-18)17-9-10-21-19(14-17)22(28-31-21)20-15-30-24(27-20)16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2,(H,26,29)
InChIKeyGQTAPRCZMMDSJU-UHFFFAOYSA-N
XLogP4.52
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.52
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-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-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446288
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
CID 134075410
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
CID 97446341
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
N-[(2,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazole-5-carboxamide
CID 97361857
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide (CID 97443273) is 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide is O=C(NCCc1ccccn1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is GQTAPRCZMMDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-23(26-13-11-18-8-4-5-12-25-18)17-9-10-21-19(14-17)22(28-31-21)20-15-30-24(27-20)16-6-2-1-3-7-16/h1-10,12,14-15H,11,13H2,(H,26,29).
What are the key properties of 3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide?
3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.52, 6 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-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97443273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).