7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride

C16H24ClN3O3 — CID 119815437

IUPAC7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
SMILESCOCc1nc2cc(NC(=O)CCCCCCN)ccc2o1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-21-11-16-19-13-10-12(7-8-14(13)22-16)18-15(20)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20);1H
InChIKeyHFBBHFDUMCXBGV-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.24
Rot. Bonds9

About 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride

7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride (PubChem CID 119815437) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
PubChem CID119815437
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
SMILESCOCc1nc2cc(NC(=O)CCCCCCN)ccc2o1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-21-11-16-19-13-10-12(7-8-14(13)22-16)18-15(20)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20);1H
InChIKeyHFBBHFDUMCXBGV-UHFFFAOYSA-N
XLogP3.24
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
CID 119815454
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 122148357
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride (CID 119815437) is 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride is COCc1nc2cc(NC(=O)CCCCCCN)ccc2o1.Cl.
What is the InChIKey of 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride?
The InChIKey is HFBBHFDUMCXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-21-11-16-19-13-10-12(7-8-14(13)22-16)18-15(20)6-4-2-3-5-9-17;/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20);1H.
What are the key properties of 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride?
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119815437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).