N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide

C18H19N3O2 — CID 110796046

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCc2ccc3ncoc3c2)c1
InChIInChI=1S/C18H19N3O2/c1-21(2)15-5-3-4-14(11-15)18(22)19-9-8-13-6-7-16-17(10-13)23-12-20-16/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)
InChIKeyKEKDJMQIDHNPPE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide (PubChem CID 110796046) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
PubChem CID110796046
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCc2ccc3ncoc3c2)c1
InChIInChI=1S/C18H19N3O2/c1-21(2)15-5-3-4-14(11-15)18(22)19-9-8-13-6-7-16-17(10-13)23-12-20-16/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)
InChIKeyKEKDJMQIDHNPPE-UHFFFAOYSA-N
XLogP2.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide (CID 110796046) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCCc2ccc3ncoc3c2)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide?
The InChIKey is KEKDJMQIDHNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(2)15-5-3-4-14(11-15)18(22)19-9-8-13-6-7-16-17(10-13)23-12-20-16/h3-7,10-12H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 110796046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).