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

C24H17N3O3 — CID 97446275

IUPACN-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H17N3O3/c28-23(25-14-16-7-3-1-4-8-16)18-11-12-21-19(13-18)22(27-30-21)20-15-29-24(26-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,28)
InChIKeySYXLAXMFQATNNR-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.08
Rot. Bonds5

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

N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446275) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446275
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C24H17N3O3/c28-23(25-14-16-7-3-1-4-8-16)18-11-12-21-19(13-18)22(27-30-21)20-15-29-24(26-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,28)
InChIKeySYXLAXMFQATNNR-UHFFFAOYSA-N
XLogP5.08
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
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-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446299
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
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-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446337
3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446288
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694
N-[3-(diethylamino)propyl]-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361929
5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide
CID 135526570
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97446275) is N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1.
What is the InChIKey of N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is SYXLAXMFQATNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(25-14-16-7-3-1-4-8-16)18-11-12-21-19(13-18)22(27-30-21)20-15-29-24(26-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,28).
What are the key properties of N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).