1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C14H16BrN5O3 — CID 75463174

IUPAC1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3[nH]ncc3Br)CC2)no1
InChIInChI=1S/C14H16BrN5O3/c1-8-6-11(19-23-8)17-13(21)9-2-4-20(5-3-9)14(22)12-10(15)7-16-18-12/h6-7,9H,2-5H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyHFFPDNHKAJZOGG-UHFFFAOYSA-N
MW382.22 g/mol
LogP1.96
Rot. Bonds3

About 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 75463174) has the molecular formula C14H16BrN5O3 and a molecular weight of 382.22 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID75463174
Molecular FormulaC14H16BrN5O3
Molecular Weight382.22 g/mol
Exact Mass381.04
IUPAC Name1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3[nH]ncc3Br)CC2)no1
InChIInChI=1S/C14H16BrN5O3/c1-8-6-11(19-23-8)17-13(21)9-2-4-20(5-3-9)14(22)12-10(15)7-16-18-12/h6-7,9H,2-5H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyHFFPDNHKAJZOGG-UHFFFAOYSA-N
XLogP1.96
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 119276056
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-1,4-dicarboxamide
CID 127597421
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
1-(3,5-dichloro-4-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485465
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 71899322
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 134026755

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 75463174) is 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3[nH]ncc3Br)CC2)no1.
What is the InChIKey of 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is HFFPDNHKAJZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O3/c1-8-6-11(19-23-8)17-13(21)9-2-4-20(5-3-9)14(22)12-10(15)7-16-18-12/h6-7,9H,2-5H2,1H3,(H,16,18)(H,17,19,21).
What are the key properties of 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 382.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-pyrazole-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75463174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).