benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium

C19H21ClN3O3+ — CID 5092486

IUPACbenzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
SMILESC[NH+](CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)Cc1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-22(12-14-5-3-2-4-6-14)10-9-21-18(24)13-23-16-8-7-15(20)11-17(16)26-19(23)25/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)/p+1
InChIKeyXLWOLIUZDURGKC-UHFFFAOYSA-O
MW374.85 g/mol
LogP1.08
Rot. Bonds7

About benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium

benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium (PubChem CID 5092486) has the molecular formula C19H21ClN3O3+ and a molecular weight of 374.85 g/mol. Its IUPAC name is benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
PubChem CID5092486
Molecular FormulaC19H21ClN3O3+
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Namebenzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
SMILESC[NH+](CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)Cc1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-22(12-14-5-3-2-4-6-14)10-9-21-18(24)13-23-16-8-7-15(20)11-17(16)26-19(23)25/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)/p+1
InChIKeyXLWOLIUZDURGKC-UHFFFAOYSA-O
XLogP1.08
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium with MolForge

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 46963246
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
methyl (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 8986905
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 20949297
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8986115
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 46964298
(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium
CID 9244632

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium?
The IUPAC name of benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium (CID 5092486) is benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium.
What is the SMILES notation for benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium?
The canonical SMILES for benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium is C[NH+](CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)Cc1ccccc1.
What is the InChIKey of benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium?
The InChIKey is XLWOLIUZDURGKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20ClN3O3/c1-22(12-14-5-3-2-4-6-14)10-9-21-18(24)13-23-16-8-7-15(20)11-17(16)26-19(23)25/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)/p+1.
What are the key properties of benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium?
benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium has a molecular weight of 374.85 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium is sourced from PubChem (CID 5092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).