N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H11BrN4O2 — CID 47067642

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)on1
InChIInChI=1S/C13H11BrN4O2/c1-8-4-11(20-17-8)13(19)15-5-10-7-18-6-9(14)2-3-12(18)16-10/h2-4,6-7H,5H2,1H3,(H,15,19)
InChIKeyJMSMFLNQMLDHDN-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.32
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47067642) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47067642
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)on1
InChIInChI=1S/C13H11BrN4O2/c1-8-4-11(20-17-8)13(19)15-5-10-7-18-6-9(14)2-3-12(18)16-10/h2-4,6-7H,5H2,1H3,(H,15,19)
InChIKeyJMSMFLNQMLDHDN-UHFFFAOYSA-N
XLogP2.32
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043857
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95140224
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 55977281
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 55976385
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47067642) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)on1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JMSMFLNQMLDHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-8-4-11(20-17-8)13(19)15-5-10-7-18-6-9(14)2-3-12(18)16-10/h2-4,6-7H,5H2,1H3,(H,15,19).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).