N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C11H10BrN3O2 — CID 75503427

IUPACN-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncccc2Br)no1
InChIInChI=1S/C11H10BrN3O2/c1-7-6-9(14-17-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3
InChIKeyZRDDZPDPGZUZOM-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.42
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 75503427) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID75503427
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncccc2Br)no1
InChIInChI=1S/C11H10BrN3O2/c1-7-6-9(14-17-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3
InChIKeyZRDDZPDPGZUZOM-UHFFFAOYSA-N
XLogP2.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 75503427) is N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)c2ncccc2Br)no1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZRDDZPDPGZUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-6-9(14-17-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3.
What are the key properties of N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75503427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).