N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

C26H26N4O3 — CID 53085289

IUPACN-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-32-22-9-5-8-21(17-22)27-26(31)30-14-12-29(13-15-30)18-25-28-23-16-20(10-11-24(23)33-25)19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,27,31)
InChIKeyQMAOAXPDCBIAJO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.85
Rot. Bonds5

About N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 53085289) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID53085289
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-32-22-9-5-8-21(17-22)27-26(31)30-14-12-29(13-15-30)18-25-28-23-16-20(10-11-24(23)33-25)19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,27,31)
InChIKeyQMAOAXPDCBIAJO-UHFFFAOYSA-N
XLogP4.85
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085292
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
N-(3-chlorophenyl)-4-[[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carboxamide
CID 46383263
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (CID 53085289) is N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QMAOAXPDCBIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-22-9-5-8-21(17-22)27-26(31)30-14-12-29(13-15-30)18-25-28-23-16-20(10-11-24(23)33-25)19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,27,31).
What are the key properties of N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53085289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).