N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide

C19H20N2O3 — CID 136794414

IUPACN-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-8-16-14(9-11)21-17(24-16)13-10-12(6-7-15(13)22)20-18(23)19(2,3)4/h5-10,22H,1-4H3,(H,20,23)
InChIKeyNFOHEJIKZQRROO-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.49
Rot. Bonds2

About N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide

N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 136794414) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID136794414
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-8-16-14(9-11)21-17(24-16)13-10-12(6-7-15(13)22)20-18(23)19(2,3)4/h5-10,22H,1-4H3,(H,20,23)
InChIKeyNFOHEJIKZQRROO-UHFFFAOYSA-N
XLogP4.49
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 137156664
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1364062
4-fluoro-N-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 1336021
2-(4-bromophenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135625532
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,2,2-trichloroacetamide
CID 1363966
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 136794425
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
5-(2,4-dichlorophenyl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 135609226
3-chloro-N-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 1496933
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(5-methyl-1,3-benzoxazol-2-yl)-4-(pyridin-3-ylmethylamino)phenol
CID 1226959

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide (CID 136794414) is N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide is Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1.
What is the InChIKey of N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is NFOHEJIKZQRROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-8-16-14(9-11)21-17(24-16)13-10-12(6-7-15(13)22)20-18(23)19(2,3)4/h5-10,22H,1-4H3,(H,20,23).
What are the key properties of N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).