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

C20H22BrN5O3 — CID 55791857

IUPAC2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3c(Br)c4ccccc4n3C)CC2)no1
InChIInChI=1S/C20H22BrN5O3/c1-13-11-16(23-29-13)22-17(27)12-25-7-9-26(10-8-25)20(28)19-18(21)14-5-3-4-6-15(14)24(19)2/h3-6,11H,7-10,12H2,1-2H3,(H,22,23,27)
InChIKeyLUUCEHIBNXCQDQ-UHFFFAOYSA-N
MW460.33 g/mol
LogP2.63
Rot. Bonds4

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

2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 55791857) has the molecular formula C20H22BrN5O3 and a molecular weight of 460.33 g/mol. Its IUPAC name is 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID55791857
Molecular FormulaC20H22BrN5O3
Molecular Weight460.33 g/mol
Exact Mass459.09
IUPAC Name2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3c(Br)c4ccccc4n3C)CC2)no1
InChIInChI=1S/C20H22BrN5O3/c1-13-11-16(23-29-13)22-17(27)12-25-7-9-26(10-8-25)20(28)19-18(21)14-5-3-4-6-15(14)24(19)2/h3-6,11H,7-10,12H2,1-2H3,(H,22,23,27)
InChIKeyLUUCEHIBNXCQDQ-UHFFFAOYSA-N
XLogP2.63
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572911
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572897
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 55791857) is 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3c(Br)c4ccccc4n3C)CC2)no1.
What is the InChIKey of 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LUUCEHIBNXCQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O3/c1-13-11-16(23-29-13)22-17(27)12-25-7-9-26(10-8-25)20(28)19-18(21)14-5-3-4-6-15(14)24(19)2/h3-6,11H,7-10,12H2,1-2H3,(H,22,23,27).
What are the key properties of 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 460.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 55791857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).