2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

C20H21N3O2 — CID 24817675

IUPAC2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C20H21N3O2/c24-19(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)25-20(23-17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,22,24)
InChIKeyTVHYCEPFUJDFAM-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.20
Rot. Bonds4

About 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24817675) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24817675
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C20H21N3O2/c24-19(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)25-20(23-17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,22,24)
InChIKeyTVHYCEPFUJDFAM-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 24817675) is 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCc1ccccn1)c1ccc2nc(C3CCCCC3)oc2c1.
What is the InChIKey of 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is TVHYCEPFUJDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)25-20(23-17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,22,24).
What are the key properties of 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24817675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).