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

C15H10Cl2N2O2 — CID 880527

IUPACN-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8(20)18-10-3-5-14-13(7-10)19-15(21-14)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,18,20)
InChIKeyOTVDYEAEAKFMPK-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.76
Rot. Bonds2

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

N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 880527) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID880527
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC NameN-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C15H10Cl2N2O2/c1-8(20)18-10-3-5-14-13(7-10)19-15(21-14)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,18,20)
InChIKeyOTVDYEAEAKFMPK-UHFFFAOYSA-N
XLogP4.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
CID 91677608
(E)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318879
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 7333470
2-(2,4-dichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 91681335
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]propanamide
CID 875923
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 2995800
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide (CID 880527) is N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is OTVDYEAEAKFMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8(20)18-10-3-5-14-13(7-10)19-15(21-14)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,18,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide?
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 321.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 880527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).