N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide

C16H16N2O2 — CID 6929907

IUPACN-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2Nc3ccc(C)cc3O2)cc1
InChIInChI=1S/C16H16N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9,16,18H,1-2H3,(H,17,19)/t16-/m1/s1
InChIKeySHNJAYMKIABMKT-MRXNPFEDSA-N
MW268.32 g/mol
LogP3.46
Rot. Bonds2

About N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide

N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide (PubChem CID 6929907) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide
PubChem CID6929907
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2Nc3ccc(C)cc3O2)cc1
InChIInChI=1S/C16H16N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9,16,18H,1-2H3,(H,17,19)/t16-/m1/s1
InChIKeySHNJAYMKIABMKT-MRXNPFEDSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide 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-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671
N-(4-methylphenyl)acetamide
CID 7684
N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline
CID 6929903
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 5297680
2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 123220813
N-[4-(2,4-dioxo-1,3-oxazolidin-5-yl)phenyl]acetamide
CID 110720579
N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645921
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(5-imino-6,6a,12,12a-tetrahydrobenzo[a]phenoxazin-9-yl)acetamide
CID 178186097

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide (CID 6929907) is N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2Nc3ccc(C)cc3O2)cc1.
What is the InChIKey of N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide?
The InChIKey is SHNJAYMKIABMKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9,16,18H,1-2H3,(H,17,19)/t16-/m1/s1.
What are the key properties of N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide?
N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-6-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 6929907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).