2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

C19H16BrN3O2 — CID 51120484

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cn3c(C)c(Br)c4ccccc43)cc2o1
InChIInChI=1S/C19H16BrN3O2/c1-11-19(20)14-5-3-4-6-16(14)23(11)10-18(24)22-13-7-8-15-17(9-13)25-12(2)21-15/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyNIWMDJTZGBGNBA-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.80
Rot. Bonds3

About 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 51120484) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
PubChem CID51120484
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cn3c(C)c(Br)c4ccccc43)cc2o1
InChIInChI=1S/C19H16BrN3O2/c1-11-19(20)14-5-3-4-6-16(14)23(11)10-18(24)22-13-7-8-15-17(9-13)25-12(2)21-15/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyNIWMDJTZGBGNBA-UHFFFAOYSA-N
XLogP4.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
CID 55933821
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 60521532
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
N-(1H-benzimidazol-2-ylmethyl)-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520299
2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 52661750

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (CID 51120484) is 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cn3c(C)c(Br)c4ccccc43)cc2o1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is NIWMDJTZGBGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-11-19(20)14-5-3-4-6-16(14)23(11)10-18(24)22-13-7-8-15-17(9-13)25-12(2)21-15/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 398.26 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 51120484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).