N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H17N5O2 — CID 136533940

IUPACN-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccncc2)c1)c1noc2c1CCCCC2
InChIInChI=1S/C17H17N5O2/c23-17(16-14-4-2-1-3-5-15(14)24-21-16)20-12-10-19-22(11-12)13-6-8-18-9-7-13/h6-11H,1-5H2,(H,20,23)
InChIKeyMHVDLUAXPWFKNF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.78
Rot. Bonds3

About N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 136533940) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID136533940
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccncc2)c1)c1noc2c1CCCCC2
InChIInChI=1S/C17H17N5O2/c23-17(16-14-4-2-1-3-5-15(14)24-21-16)20-12-10-19-22(11-12)13-6-8-18-9-7-13/h6-11H,1-5H2,(H,20,23)
InChIKeyMHVDLUAXPWFKNF-UHFFFAOYSA-N
XLogP2.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 136533940) is N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is O=C(Nc1cnn(-c2ccncc2)c1)c1noc2c1CCCCC2.
What is the InChIKey of N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is MHVDLUAXPWFKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(16-14-4-2-1-3-5-15(14)24-21-16)20-12-10-19-22(11-12)13-6-8-18-9-7-13/h6-11H,1-5H2,(H,20,23).
What are the key properties of N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 136533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).