2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide

C23H20N2O4 — CID 70689088

IUPAC2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N2O4/c1-24(18-8-4-3-5-9-18)22(26)15-25-20-14-17(11-12-21(20)29-23(25)27)16-7-6-10-19(13-16)28-2/h3-14H,15H2,1-2H3
InChIKeyRBZKJNAZYMVSDS-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.93
Rot. Bonds5

About 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide

2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 70689088) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
PubChem CID70689088
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N2O4/c1-24(18-8-4-3-5-9-18)22(26)15-25-20-14-17(11-12-21(20)29-23(25)27)16-7-6-10-19(13-16)28-2/h3-14H,15H2,1-2H3
InChIKeyRBZKJNAZYMVSDS-UHFFFAOYSA-N
XLogP3.93
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
5-(4-Methoxybiphenyl-3-YL)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
CID 4369451
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70682775
N-(4-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70684858
3-[2-(Methylphenylamino)-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]benzoxazole-2(3H)-one
CID 70693298
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide (CID 70689088) is 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide is COc1cccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is RBZKJNAZYMVSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-24(18-8-4-3-5-9-18)22(26)15-25-20-14-17(11-12-21(20)29-23(25)27)16-7-6-10-19(13-16)28-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide?
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 388.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 70689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).