N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

C19H25BrN4O2 — CID 55432438

IUPACN-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(Cc3cc(C)on3)CC2)c(Br)c1
InChIInChI=1S/C19H25BrN4O2/c1-13-4-5-18(17(20)10-13)21-19(25)15(3)24-8-6-23(7-9-24)12-16-11-14(2)26-22-16/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,25)
InChIKeyHHPWTYWGUQWZOP-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.20
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432438) has the molecular formula C19H25BrN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
PubChem CID55432438
Molecular FormulaC19H25BrN4O2
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(Cc3cc(C)on3)CC2)c(Br)c1
InChIInChI=1S/C19H25BrN4O2/c1-13-4-5-18(17(20)10-13)21-19(25)15(3)24-8-6-23(7-9-24)12-16-11-14(2)26-22-16/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,25)
InChIKeyHHPWTYWGUQWZOP-UHFFFAOYSA-N
XLogP3.20
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30728174
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500734
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide
CID 96528519

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (CID 55432438) is N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCN(Cc3cc(C)on3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is HHPWTYWGUQWZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2/c1-13-4-5-18(17(20)10-13)21-19(25)15(3)24-8-6-23(7-9-24)12-16-11-14(2)26-22-16/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 421.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).