3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide

C25H23N3O4 — CID 50842004

IUPAC3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C25H23N3O4/c1-2-27(16-18-9-5-3-6-10-18)23(29)17-28-21-15-19(13-14-22(21)32-25(28)31)24(30)26-20-11-7-4-8-12-20/h3-15H,2,16-17H2,1H3,(H,26,30)
InChIKeyFIEPHIYFTJLAQO-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.90
Rot. Bonds7

About 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide

3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide (PubChem CID 50842004) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
PubChem CID50842004
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C25H23N3O4/c1-2-27(16-18-9-5-3-6-10-18)23(29)17-28-21-15-19(13-14-22(21)32-25(28)31)24(30)26-20-11-7-4-8-12-20/h3-15H,2,16-17H2,1H3,(H,26,30)
InChIKeyFIEPHIYFTJLAQO-UHFFFAOYSA-N
XLogP3.90
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842162
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50841902
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide (CID 50842004) is 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccc(C(=O)Nc3ccccc3)cc21.
What is the InChIKey of 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is FIEPHIYFTJLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-2-27(16-18-9-5-3-6-10-18)23(29)17-28-21-15-19(13-14-22(21)32-25(28)31)24(30)26-20-11-7-4-8-12-20/h3-15H,2,16-17H2,1H3,(H,26,30).
What are the key properties of 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 50842004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).