N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide

C10H8BrN3O2 — CID 66335259

IUPACN-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H8BrN3O2/c1-6-5-13-16-8(6)10(15)14-9-7(11)3-2-4-12-9/h2-5H,1H3,(H,12,14,15)
InChIKeyXKGKDJFLSGMZRD-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.39
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66335259) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66335259
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC NameN-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H8BrN3O2/c1-6-5-13-16-8(6)10(15)14-9-7(11)3-2-4-12-9/h2-5H,1H3,(H,12,14,15)
InChIKeyXKGKDJFLSGMZRD-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
CID 102989712
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
CID 112696541
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
4-amino-N-(3-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 81245467
N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685084
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
N-(3-bromo-2-pyridinyl)but-2-ynamide
CID 107987937
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 66335259) is N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XKGKDJFLSGMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-5-13-16-8(6)10(15)14-9-7(11)3-2-4-12-9/h2-5H,1H3,(H,12,14,15).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).