N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide

C17H16N2O3 — CID 711630

IUPACN-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1
InChIInChI=1S/C17H16N2O3/c1-9-6-10(2)16-14(7-9)19-17(22-16)13-5-4-12(8-15(13)21)18-11(3)20/h4-8,21H,1-3H3,(H,18,20)
InChIKeyMTNRNDDKBCMBDI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.78
Rot. Bonds2

About N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide (PubChem CID 711630) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
PubChem CID711630
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1
InChIInChI=1S/C17H16N2O3/c1-9-6-10(2)16-14(7-9)19-17(22-16)13-5-4-12(8-15(13)21)18-11(3)20/h4-8,21H,1-3H3,(H,18,20)
InChIKeyMTNRNDDKBCMBDI-UHFFFAOYSA-N
XLogP3.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 135447235
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 135717985
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
CID 135765722
2-(4-chlorophenyl)-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]acetamide
CID 135717999
3,5-dichloro-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 137118495
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 4620784
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 135648643
2,3,5-tribromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]benzamide
CID 135765629
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
3-butoxy-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]benzamide
CID 135775737

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide (CID 711630) is N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1.
What is the InChIKey of N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide?
The InChIKey is MTNRNDDKBCMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-9-6-10(2)16-14(7-9)19-17(22-16)13-5-4-12(8-15(13)21)18-11(3)20/h4-8,21H,1-3H3,(H,18,20).
What are the key properties of N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide?
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 711630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).