3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide

C15H14BrN3O2 — CID 71934822

IUPAC3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C15H14BrN3O2/c1-8-13(9(2)21-18-8)17-15(20)14-12(16)10-6-4-5-7-11(10)19(14)3/h4-7H,1-3H3,(H,17,20)
InChIKeyJUKWDQQLMJWQQO-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.80
Rot. Bonds2

About 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide

3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide (PubChem CID 71934822) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
PubChem CID71934822
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C15H14BrN3O2/c1-8-13(9(2)21-18-8)17-15(20)14-12(16)10-6-4-5-7-11(10)19(14)3/h4-7H,1-3H3,(H,17,20)
InChIKeyJUKWDQQLMJWQQO-UHFFFAOYSA-N
XLogP3.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide (CID 71934822) is 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide is Cc1noc(C)c1NC(=O)c1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The InChIKey is JUKWDQQLMJWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-8-13(9(2)21-18-8)17-15(20)14-12(16)10-6-4-5-7-11(10)19(14)3/h4-7H,1-3H3,(H,17,20).
What are the key properties of 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 71934822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).