4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide

C14H12BrN5O2 — CID 165415271

IUPAC4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2cc(-c3ccccn3)nn2C)c1Br
InChIInChI=1S/C14H12BrN5O2/c1-8-12(15)13(22-19-8)14(21)17-11-7-10(18-20(11)2)9-5-3-4-6-16-9/h3-7H,1-2H3,(H,17,21)
InChIKeySXIBGIPRFWYOFV-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide

4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 165415271) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID165415271
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2cc(-c3ccccn3)nn2C)c1Br
InChIInChI=1S/C14H12BrN5O2/c1-8-12(15)13(22-19-8)14(21)17-11-7-10(18-20(11)2)9-5-3-4-6-16-9/h3-7H,1-2H3,(H,17,21)
InChIKeySXIBGIPRFWYOFV-UHFFFAOYSA-N
XLogP2.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
CID 165415081
N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
CID 75378134
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 137989070
5-propan-2-yl-N-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596124
N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 121532620
3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
CID 154857473
N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 154858224
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25206484
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 25206485
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]-6-methylpyridine-2-carboxamide
CID 57944944
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
CID 57944957
1-Propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazol-5-amine
CID 142741291

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide (CID 165415271) is 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2cc(-c3ccccn3)nn2C)c1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is SXIBGIPRFWYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c1-8-12(15)13(22-19-8)14(21)17-11-7-10(18-20(11)2)9-5-3-4-6-16-9/h3-7H,1-2H3,(H,17,21).
What are the key properties of 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide?
4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 362.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 165415271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).