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

C27H27N5O3 — CID 50780378

IUPACN-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)CC2)c1
InChIInChI=1S/C27H27N5O3/c1-19-6-8-21(9-7-19)26-29-25(30-35-26)20-10-12-23(13-11-20)31-14-16-32(17-15-31)27(33)28-22-4-3-5-24(18-22)34-2/h3-13,18H,14-17H2,1-2H3,(H,28,33)
InChIKeyXTZPUNDGUSUXET-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.07
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide (PubChem CID 50780378) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
PubChem CID50780378
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)CC2)c1
InChIInChI=1S/C27H27N5O3/c1-19-6-8-21(9-7-19)26-29-25(30-35-26)20-10-12-23(13-11-20)31-14-16-32(17-15-31)27(33)28-22-4-3-5-24(18-22)34-2/h3-13,18H,14-17H2,1-2H3,(H,28,33)
InChIKeyXTZPUNDGUSUXET-UHFFFAOYSA-N
XLogP5.07
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 46266562
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
N-(3,4-dimethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780215
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53041905
N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780259
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4541596
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide (CID 50780378) is N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide?
The InChIKey is XTZPUNDGUSUXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-19-6-8-21(9-7-19)26-29-25(30-35-26)20-10-12-23(13-11-20)31-14-16-32(17-15-31)27(33)28-22-4-3-5-24(18-22)34-2/h3-13,18H,14-17H2,1-2H3,(H,28,33).
What are the key properties of N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 50780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).