N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

C19H20N2O3 — CID 73254656

IUPACN-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1
InChIInChI=1S/C19H20N2O3/c1-11(2)18(22)20-15-7-5-6-14(12(15)3)19-21-16-10-13(23-4)8-9-17(16)24-19/h5-11H,1-4H3,(H,20,22)
InChIKeyZDXDIRLEXVGNMB-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.41
Rot. Bonds4

About N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide (PubChem CID 73254656) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
PubChem CID73254656
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1
InChIInChI=1S/C19H20N2O3/c1-11(2)18(22)20-15-7-5-6-14(12(15)3)19-21-16-10-13(23-4)8-9-17(16)24-19/h5-11H,1-4H3,(H,20,22)
InChIKeyZDXDIRLEXVGNMB-UHFFFAOYSA-N
XLogP4.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
3-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]propane-1,2-diol
CID 168596295
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 1367030
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
CID 5343935
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683695
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbutanamide
CID 1048095
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(2-methylpropoxy)benzamide
CID 23906666
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide (CID 73254656) is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide is COc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1.
What is the InChIKey of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The InChIKey is ZDXDIRLEXVGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11(2)18(22)20-15-7-5-6-14(12(15)3)19-21-16-10-13(23-4)8-9-17(16)24-19/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 73254656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).