2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide

C22H17ClN2O4 — CID 8986115

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-6-11-19-20(12-16)29-22(27)25(19)13-21(26)24-17-7-9-18(10-8-17)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyACLWVWWXLIPCHB-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.47
Rot. Bonds6

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 8986115) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID8986115
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-6-11-19-20(12-16)29-22(27)25(19)13-21(26)24-17-7-9-18(10-8-17)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyACLWVWWXLIPCHB-UHFFFAOYSA-N
XLogP4.47
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
CID 5092486
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
CID 8986813
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 121403491
N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986142
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (CID 8986115) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is ACLWVWWXLIPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c23-16-6-11-19-20(12-16)29-22(27)25(19)13-21(26)24-17-7-9-18(10-8-17)28-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 408.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 8986115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).