N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide

C18H16Cl2N2O2 — CID 23883624

IUPACN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-3-4-17(23)21-12-6-7-14(20)13(10-12)18-22-15-9-11(19)5-8-16(15)24-18/h5-10H,2-4H2,1H3,(H,21,23)
InChIKeyOBUKHCDMAVGIDV-UHFFFAOYSA-N
MW363.24 g/mol
LogP5.93
Rot. Bonds5

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

N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide (PubChem CID 23883624) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
PubChem CID23883624
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-3-4-17(23)21-12-6-7-14(20)13(10-12)18-22-15-9-11(19)5-8-16(15)24-18/h5-10H,2-4H2,1H3,(H,21,23)
InChIKeyOBUKHCDMAVGIDV-UHFFFAOYSA-N
XLogP5.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 19631776
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethylbenzamide
CID 3893327
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 21211496
3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238
N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 2289137
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]butanamide
CID 1369889
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 1290304
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880527

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide?
The IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide (CID 23883624) is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide?
The canonical SMILES for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide?
The InChIKey is OBUKHCDMAVGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-3-4-17(23)21-12-6-7-14(20)13(10-12)18-22-15-9-11(19)5-8-16(15)24-18/h5-10H,2-4H2,1H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide?
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide has a molecular weight of 363.24 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 23883624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).