N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C21H24N4O4 — CID 46051560

IUPACN-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1
InChIInChI=1S/C21H24N4O4/c26-19-6-2-1-4-16(19)13-24-7-9-25(10-8-24)14-20-23-18(15-29-20)21(27)22-12-17-5-3-11-28-17/h1-6,11,15,26H,7-10,12-14H2,(H,22,27)
InChIKeyVCOZGKSTXXJIJY-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.22
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46051560) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46051560
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1
InChIInChI=1S/C21H24N4O4/c26-19-6-2-1-4-16(19)13-24-7-9-25(10-8-24)14-20-23-18(15-29-20)21(27)22-12-17-5-3-11-28-17/h1-6,11,15,26H,7-10,12-14H2,(H,22,27)
InChIKeyVCOZGKSTXXJIJY-UHFFFAOYSA-N
XLogP2.22
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42855781
N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051708
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
N-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051294
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833087
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051217
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 46051560) is N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccco1)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VCOZGKSTXXJIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19-6-2-1-4-16(19)13-24-7-9-25(10-8-24)14-20-23-18(15-29-20)21(27)22-12-17-5-3-11-28-17/h1-6,11,15,26H,7-10,12-14H2,(H,22,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46051560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).