2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide

C20H25N3O2 — CID 3809103

IUPAC2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
SMILESCC1C(NC(=O)c2coc(-c3ccccc3N)n2)CC2CC1C2(C)C
InChIInChI=1S/C20H25N3O2/c1-11-14-8-12(20(14,2)3)9-16(11)22-18(24)17-10-25-19(23-17)13-6-4-5-7-15(13)21/h4-7,10-12,14,16H,8-9,21H2,1-3H3,(H,22,24)
InChIKeySBVFJHKNSPAWAA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide (PubChem CID 3809103) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
PubChem CID3809103
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
SMILESCC1C(NC(=O)c2coc(-c3ccccc3N)n2)CC2CC1C2(C)C
InChIInChI=1S/C20H25N3O2/c1-11-14-8-12(20(14,2)3)9-16(11)22-18(24)17-10-25-19(23-17)13-6-4-5-7-15(13)21/h4-7,10-12,14,16H,8-9,21H2,1-3H3,(H,22,24)
InChIKeySBVFJHKNSPAWAA-UHFFFAOYSA-N
XLogP3.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide (CID 3809103) is 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide is CC1C(NC(=O)c2coc(-c3ccccc3N)n2)CC2CC1C2(C)C.
What is the InChIKey of 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SBVFJHKNSPAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-11-14-8-12(20(14,2)3)9-16(11)22-18(24)17-10-25-19(23-17)13-6-4-5-7-15(13)21/h4-7,10-12,14,16H,8-9,21H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3809103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).