N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide

C15H19N3O2 — CID 63888178

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESNCC1(NC(=O)Cc2noc3ccccc23)CCCC1
InChIInChI=1S/C15H19N3O2/c16-10-15(7-3-4-8-15)17-14(19)9-12-11-5-1-2-6-13(11)20-18-12/h1-2,5-6H,3-4,7-10,16H2,(H,17,19)
InChIKeyIMJNGJODNKLSCT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide (PubChem CID 63888178) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide
PubChem CID63888178
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESNCC1(NC(=O)Cc2noc3ccccc23)CCCC1
InChIInChI=1S/C15H19N3O2/c16-10-15(7-3-4-8-15)17-14(19)9-12-11-5-1-2-6-13(11)20-18-12/h1-2,5-6H,3-4,7-10,16H2,(H,17,19)
InChIKeyIMJNGJODNKLSCT-UHFFFAOYSA-N
XLogP1.76
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 25122234
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide (CID 63888178) is N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide is NCC1(NC(=O)Cc2noc3ccccc23)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The InChIKey is IMJNGJODNKLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-15(7-3-4-8-15)17-14(19)9-12-11-5-1-2-6-13(11)20-18-12/h1-2,5-6H,3-4,7-10,16H2,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 63888178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).