2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide

C15H20N4O2 — CID 79959943

IUPAC2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1nc2cc(N)ccc2o1)C1CCCC1
InChIInChI=1S/C15H20N4O2/c16-10-5-6-13-12(7-10)18-15(21-13)9-19(8-14(17)20)11-3-1-2-4-11/h5-7,11H,1-4,8-9,16H2,(H2,17,20)
InChIKeyQVXNGWLAGBAYQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds5

About 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide

2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide (PubChem CID 79959943) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
PubChem CID79959943
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1nc2cc(N)ccc2o1)C1CCCC1
InChIInChI=1S/C15H20N4O2/c16-10-5-6-13-12(7-10)18-15(21-13)9-19(8-14(17)20)11-3-1-2-4-11/h5-7,11H,1-4,8-9,16H2,(H2,17,20)
InChIKeyQVXNGWLAGBAYQI-UHFFFAOYSA-N
XLogP1.64
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79965084
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
CID 114231794
2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
CID 82732996
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106914591
2-[(6-amino-3-chloro-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 62891161
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959759
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
2-[cyclopentyl-[(2-hydrazinyl-4-pyridinyl)methyl]amino]acetamide
CID 62471525

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide (CID 79959943) is 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide is NC(=O)CN(Cc1nc2cc(N)ccc2o1)C1CCCC1.
What is the InChIKey of 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide?
The InChIKey is QVXNGWLAGBAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-5-6-13-12(7-10)18-15(21-13)9-19(8-14(17)20)11-3-1-2-4-11/h5-7,11H,1-4,8-9,16H2,(H2,17,20).
What are the key properties of 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide?
2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 79959943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).