2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide

C19H25N3O2 — CID 143625899

IUPAC2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide
SMILESCCNc1nc2c(C(=O)NC3CC4CCCC3C4C)cccc2o1
InChIInChI=1S/C19H25N3O2/c1-3-20-19-22-17-14(8-5-9-16(17)24-19)18(23)21-15-10-12-6-4-7-13(15)11(12)2/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWHTUCYDPWOHZPX-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.81
Rot. Bonds4

About 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide

2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide (PubChem CID 143625899) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide
PubChem CID143625899
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide
SMILESCCNc1nc2c(C(=O)NC3CC4CCCC3C4C)cccc2o1
InChIInChI=1S/C19H25N3O2/c1-3-20-19-22-17-14(8-5-9-16(17)24-19)18(23)21-15-10-12-6-4-7-13(15)11(12)2/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWHTUCYDPWOHZPX-UHFFFAOYSA-N
XLogP3.81
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide (CID 143625899) is 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide is CCNc1nc2c(C(=O)NC3CC4CCCC3C4C)cccc2o1.
What is the InChIKey of 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide?
The InChIKey is WHTUCYDPWOHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-20-19-22-17-14(8-5-9-16(17)24-19)18(23)21-15-10-12-6-4-7-13(15)11(12)2/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide?
2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(8-methyl-6-bicyclo[3.2.1]octanyl)-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 143625899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).