N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C24H21N3O4 — CID 51069903

IUPACN-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1)NCc1ccco1
InChIInChI=1S/C24H21N3O4/c28-23(25-15-20-12-7-13-30-20)17-27(16-18-8-3-1-4-9-18)24(29)21-14-22(31-26-21)19-10-5-2-6-11-19/h1-14H,15-17H2,(H,25,28)
InChIKeyKXHDNFDKBCDCLC-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.89
Rot. Bonds8

About N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51069903) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51069903
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1)NCc1ccco1
InChIInChI=1S/C24H21N3O4/c28-23(25-15-20-12-7-13-30-20)17-27(16-18-8-3-1-4-9-18)24(29)21-14-22(31-26-21)19-10-5-2-6-11-19/h1-14H,15-17H2,(H,25,28)
InChIKeyKXHDNFDKBCDCLC-UHFFFAOYSA-N
XLogP3.89
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 23613551
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812654
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-benzyl-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 51070748
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822361
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18156517
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 51069903) is N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1)NCc1ccco1.
What is the InChIKey of N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KXHDNFDKBCDCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-23(25-15-20-12-7-13-30-20)17-27(16-18-8-3-1-4-9-18)24(29)21-14-22(31-26-21)19-10-5-2-6-11-19/h1-14H,15-17H2,(H,25,28).
What are the key properties of N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51069903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).