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

C16H13ClN2O2 — CID 2995800

IUPACN-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-3-4-11(7-13(9)17)16-19-14-8-12(18-10(2)20)5-6-15(14)21-16/h3-8H,1-2H3,(H,18,20)
InChIKeyBJQBASDJOOPACY-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.42
Rot. Bonds2

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

N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 2995800) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID2995800
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-3-4-11(7-13(9)17)16-19-14-8-12(18-10(2)20)5-6-15(14)21-16/h3-8H,1-2H3,(H,18,20)
InChIKeyBJQBASDJOOPACY-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 23959755
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
3,5-dichloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 17314643
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633
N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 4045497
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 2995800) is N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1.
What is the InChIKey of N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is BJQBASDJOOPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-3-4-11(7-13(9)17)16-19-14-8-12(18-10(2)20)5-6-15(14)21-16/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 300.75 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 2995800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).