N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

C14H18BrN3O2 — CID 154739082

IUPACN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cc(Br)cn1C
InChIInChI=1S/C14H18BrN3O2/c1-9-13(10(2)20-16-9)6-14(19)18(4)8-12-5-11(15)7-17(12)3/h5,7H,6,8H2,1-4H3
InChIKeyDKIASIHOLHXSRL-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.59
Rot. Bonds4

About N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (PubChem CID 154739082) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
PubChem CID154739082
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)Cc1cc(Br)cn1C
InChIInChI=1S/C14H18BrN3O2/c1-9-13(10(2)20-16-9)6-14(19)18(4)8-12-5-11(15)7-17(12)3/h5,7H,6,8H2,1-4H3
InChIKeyDKIASIHOLHXSRL-UHFFFAOYSA-N
XLogP2.59
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
3-bromo-5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103826474
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 115459393
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70779613
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (CID 154739082) is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)Cc1cc(Br)cn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The InChIKey is DKIASIHOLHXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-13(10(2)20-16-9)6-14(19)18(4)8-12-5-11(15)7-17(12)3/h5,7H,6,8H2,1-4H3.
What are the key properties of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide has a molecular weight of 340.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 154739082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).