N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide

C24H30ClN5O2 — CID 155168354

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide
SMILESCN(C)CCCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1
InChIInChI=1S/C24H30ClN5O2/c1-28(2)10-3-11-29-12-14-30(15-13-29)17-23(31)26-20-7-4-18(5-8-20)24-27-21-16-19(25)6-9-22(21)32-24/h4-9,16H,3,10-15,17H2,1-2H3,(H,26,31)
InChIKeyQCZSJSGSRLHLGG-UHFFFAOYSA-N
MW455.99 g/mol
LogP3.66
Rot. Bonds8

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide (PubChem CID 155168354) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide
PubChem CID155168354
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide
SMILESCN(C)CCCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1
InChIInChI=1S/C24H30ClN5O2/c1-28(2)10-3-11-29-12-14-30(15-13-29)17-23(31)26-20-7-4-18(5-8-20)24-27-21-16-19(25)6-9-22(21)32-24/h4-9,16H,3,10-15,17H2,1-2H3,(H,26,31)
InChIKeyQCZSJSGSRLHLGG-UHFFFAOYSA-N
XLogP3.66
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide (CID 155168354) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide is CN(C)CCCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide?
The InChIKey is QCZSJSGSRLHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-28(2)10-3-11-29-12-14-30(15-13-29)17-23(31)26-20-7-4-18(5-8-20)24-27-21-16-19(25)6-9-22(21)32-24/h4-9,16H,3,10-15,17H2,1-2H3,(H,26,31).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide has a molecular weight of 455.99 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 155168354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).