5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

C21H24N4O4 — CID 51055335

IUPAC5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3cc(-c4ccco4)on3)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)9-8-22-21(26)18-15-20(29-23-18)19-3-2-14-28-19/h2-7,14-15H,8-13H2,1H3,(H,22,26)
InChIKeyXDHWBTFXNDSHPJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.50
Rot. Bonds7

About 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 51055335) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID51055335
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3cc(-c4ccco4)on3)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)9-8-22-21(26)18-15-20(29-23-18)19-3-2-14-28-19/h2-7,14-15H,8-13H2,1H3,(H,22,26)
InChIKeyXDHWBTFXNDSHPJ-UHFFFAOYSA-N
XLogP2.50
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42858740
5-(furan-2-yl)-N-[2-(3-methoxypyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 166135914
5-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 39514484
5-(furan-2-yl)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253794
5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253223
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39052209
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47085944

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 51055335) is 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(N2CCN(CCNC(=O)c3cc(-c4ccco4)on3)CC2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XDHWBTFXNDSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-17-6-4-16(5-7-17)25-12-10-24(11-13-25)9-8-22-21(26)18-15-20(29-23-18)19-3-2-14-28-19/h2-7,14-15H,8-13H2,1H3,(H,22,26).
What are the key properties of 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51055335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).