6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide

C15H21N3O2 — CID 60945929

IUPAC6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCc1nc2cc(NC(=O)CCCCCN)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-2-15-18-12-10-11(7-8-13(12)20-15)17-14(19)6-4-3-5-9-16/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyJCHJDJSRGOEDOJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.85
Rot. Bonds7

About 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide

6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide (PubChem CID 60945929) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
PubChem CID60945929
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCc1nc2cc(NC(=O)CCCCCN)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-2-15-18-12-10-11(7-8-13(12)20-15)17-14(19)6-4-3-5-9-16/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyJCHJDJSRGOEDOJ-UHFFFAOYSA-N
XLogP2.85
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 60549765
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide?
The IUPAC name of 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide (CID 60945929) is 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide?
The canonical SMILES for 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide is CCc1nc2cc(NC(=O)CCCCCN)ccc2o1.
What is the InChIKey of 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide?
The InChIKey is JCHJDJSRGOEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-15-18-12-10-11(7-8-13(12)20-15)17-14(19)6-4-3-5-9-16/h7-8,10H,2-6,9,16H2,1H3,(H,17,19).
What are the key properties of 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide?
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide has a molecular weight of 275.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide is sourced from PubChem (CID 60945929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).