N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C24H21N3O4 — CID 42822361

IUPACN-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C(=O)NCc3ccco3)c3ccccc3)no2)cc1
InChIInChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)21-14-20(27-31-21)23(28)26-22(18-6-3-2-4-7-18)24(29)25-15-19-8-5-13-30-19/h2-14,22H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQJVSHBAALBAFH-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 42822361) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID42822361
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C(=O)NCc3ccco3)c3ccccc3)no2)cc1
InChIInChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)21-14-20(27-31-21)23(28)26-22(18-6-3-2-4-7-18)24(29)25-15-19-8-5-13-30-19/h2-14,22H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQJVSHBAALBAFH-UHFFFAOYSA-N
XLogP4.03
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822366
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
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N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51069903
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 42822361) is N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C(=O)NCc3ccco3)c3ccccc3)no2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DQJVSHBAALBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)21-14-20(27-31-21)23(28)26-22(18-6-3-2-4-7-18)24(29)25-15-19-8-5-13-30-19/h2-14,22H,15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42822361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).