5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H26N2O2 — CID 3238565

IUPAC5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C1CCc2onc(C(=O)NC3CCCC3)c2C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)11-8-9-14-13(10-11)15(19-21-14)16(20)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyOQZNORUVPPWKJU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.50
Rot. Bonds2

About 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3238565) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3238565
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)(C)C1CCc2onc(C(=O)NC3CCCC3)c2C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)11-8-9-14-13(10-11)15(19-21-14)16(20)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyOQZNORUVPPWKJU-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3238565) is 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C)C1CCc2onc(C(=O)NC3CCCC3)c2C1.
What is the InChIKey of 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is OQZNORUVPPWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)11-8-9-14-13(10-11)15(19-21-14)16(20)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3238565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).