N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

C17H21IN4O2 — CID 30148674

IUPACN-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3cccc(I)c3)CC2)on1
InChIInChI=1S/C17H21IN4O2/c1-13-9-16(24-20-13)11-21-5-7-22(8-6-21)12-17(23)19-15-4-2-3-14(18)10-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23)
InChIKeyLTGIXKVDJDHQGO-UHFFFAOYSA-N
MW440.29 g/mol
LogP2.34
Rot. Bonds5

About N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30148674) has the molecular formula C17H21IN4O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30148674
Molecular FormulaC17H21IN4O2
Molecular Weight440.29 g/mol
Exact Mass440.07
IUPAC NameN-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3cccc(I)c3)CC2)on1
InChIInChI=1S/C17H21IN4O2/c1-13-9-16(24-20-13)11-21-5-7-22(8-6-21)12-17(23)19-15-4-2-3-14(18)10-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23)
InChIKeyLTGIXKVDJDHQGO-UHFFFAOYSA-N
XLogP2.34
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
N-(3-iodophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30890856
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-(2-ethoxyphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147921
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 87015166
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 30148674) is N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(CN2CCN(CC(=O)Nc3cccc(I)c3)CC2)on1.
What is the InChIKey of N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LTGIXKVDJDHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN4O2/c1-13-9-16(24-20-13)11-21-5-7-22(8-6-21)12-17(23)19-15-4-2-3-14(18)10-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23).
What are the key properties of N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 440.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30148674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).