N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H16N2O4 — CID 4199510

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O4/c1-11-7-8-14(22-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)23-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVHCWWRQJFASDHG-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.55
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4199510) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4199510
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O4/c1-11-7-8-14(22-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)23-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVHCWWRQJFASDHG-UHFFFAOYSA-N
XLogP2.55
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Radiprodil
CID 10200813
3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
5-(4-Methoxybiphenyl-3-YL)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
CID 4369451
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
2-(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(2-methoxybenzyl)acetamide
CID 4335983
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4199510) is N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VHCWWRQJFASDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-7-8-14(22-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)23-17(19)21/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4199510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).