N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C16H13ClN2O3 — CID 880667

IUPACN-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1Cl
InChIInChI=1S/C16H13ClN2O3/c1-9(20)18-11-4-6-15-13(8-11)19-16(22-15)10-3-5-14(21-2)12(17)7-10/h3-8H,1-2H3,(H,18,20)
InChIKeyUFRBENOYGNELDK-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.12
Rot. Bonds3

About N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 880667) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID880667
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1Cl
InChIInChI=1S/C16H13ClN2O3/c1-9(20)18-11-4-6-15-13(8-11)19-16(22-15)10-3-5-14(21-2)12(17)7-10/h3-8H,1-2H3,(H,18,20)
InChIKeyUFRBENOYGNELDK-UHFFFAOYSA-N
XLogP4.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
2-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168609432
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 2995800
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23879871
2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2279423
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 2175786
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 880667) is N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is UFRBENOYGNELDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-9(20)18-11-4-6-15-13(8-11)19-16(22-15)10-3-5-14(21-2)12(17)7-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 316.74 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).