7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride

C14H20ClN3O3 — CID 119709871

IUPAC7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3.ClH/c15-8-4-2-1-3-5-13(18)16-10-6-7-12-11(9-10)17-14(19)20-12;/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19);1H
InChIKeySWFCZZAYBWXXAS-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.39
Rot. Bonds7

About 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride

7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride (PubChem CID 119709871) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
PubChem CID119709871
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3.ClH/c15-8-4-2-1-3-5-13(18)16-10-6-7-12-11(9-10)17-14(19)20-12;/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19);1H
InChIKeySWFCZZAYBWXXAS-UHFFFAOYSA-N
XLogP2.39
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 81179560
4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 51089599
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride (CID 119709871) is 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride?
The InChIKey is SWFCZZAYBWXXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c15-8-4-2-1-3-5-13(18)16-10-6-7-12-11(9-10)17-14(19)20-12;/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride?
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119709871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).