N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide

C20H22N2O3 — CID 9049434

IUPACN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)12-17(20-22-16-6-4-5-7-18(16)25-20)21-19(23)14-8-10-15(24-3)11-9-14/h4-11,13,17H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyZCZKAOOAWFZVAF-QGZVFWFLSA-N
MW338.41 g/mol
LogP4.35
Rot. Bonds6

About N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide

N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide (PubChem CID 9049434) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
PubChem CID9049434
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-13(2)12-17(20-22-16-6-4-5-7-18(16)25-20)21-19(23)14-8-10-15(24-3)11-9-14/h4-11,13,17H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyZCZKAOOAWFZVAF-QGZVFWFLSA-N
XLogP4.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
CID 9049529
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9049656
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(4-bromophenoxy)acetamide
CID 9049595
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
CID 110278892
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187293
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide
CID 9049601
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-cyanophenoxy)acetamide
CID 9049565
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9049482
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide (CID 9049434) is N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide?
The InChIKey is ZCZKAOOAWFZVAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)12-17(20-22-16-6-4-5-7-18(16)25-20)21-19(23)14-8-10-15(24-3)11-9-14/h4-11,13,17H,12H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide?
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide is sourced from PubChem (CID 9049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).