5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide

C19H23N3O2 — CID 112845200

IUPAC5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cc(-c3ccncc3)on1)C2
InChIInChI=1S/C19H23N3O2/c1-18(2)13-4-7-19(18,3)16(10-13)21-17(23)14-11-15(24-22-14)12-5-8-20-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3,(H,21,23)
InChIKeyFJAGGQROPMEZEU-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.68
Rot. Bonds3

About 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide

5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide (PubChem CID 112845200) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide
PubChem CID112845200
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cc(-c3ccncc3)on1)C2
InChIInChI=1S/C19H23N3O2/c1-18(2)13-4-7-19(18,3)16(10-13)21-17(23)14-11-15(24-22-14)12-5-8-20-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3,(H,21,23)
InChIKeyFJAGGQROPMEZEU-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide (CID 112845200) is 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1cc(-c3ccncc3)on1)C2.
What is the InChIKey of 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FJAGGQROPMEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-18(2)13-4-7-19(18,3)16(10-13)21-17(23)14-11-15(24-22-14)12-5-8-20-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3,(H,21,23).
What are the key properties of 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide?
5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112845200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).