N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C17H19N5O3 — CID 86781581

IUPACN-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C17H19N5O3/c1-10(2)14-8-13(21-25-14)16(23)19-15-11(3)20-22(4)17(15)24-12-6-5-7-18-9-12/h5-10H,1-4H3,(H,19,23)
InChIKeyWITFDZNRKSTTJQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.28
Rot. Bonds5

About N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 86781581) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID86781581
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C17H19N5O3/c1-10(2)14-8-13(21-25-14)16(23)19-15-11(3)20-22(4)17(15)24-12-6-5-7-18-9-12/h5-10H,1-4H3,(H,19,23)
InChIKeyWITFDZNRKSTTJQ-UHFFFAOYSA-N
XLogP3.28
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 86781581) is N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WITFDZNRKSTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)14-8-13(21-25-14)16(23)19-15-11(3)20-22(4)17(15)24-12-6-5-7-18-9-12/h5-10H,1-4H3,(H,19,23).
What are the key properties of N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86781581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).