2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide

C18H21N5O2 — CID 91837332

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1noc2ccccc12)c1nncn1C1CCCC1
InChIInChI=1S/C18H21N5O2/c1-12(18-21-19-11-23(18)13-6-2-3-7-13)20-17(24)10-15-14-8-4-5-9-16(14)25-22-15/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3,(H,20,24)
InChIKeyZFSMOYOAJZISAJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.95
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 91837332) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID91837332
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1noc2ccccc12)c1nncn1C1CCCC1
InChIInChI=1S/C18H21N5O2/c1-12(18-21-19-11-23(18)13-6-2-3-7-13)20-17(24)10-15-14-8-4-5-9-16(14)25-22-15/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3,(H,20,24)
InChIKeyZFSMOYOAJZISAJ-UHFFFAOYSA-N
XLogP2.95
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-Benzoxazol-3-yl)-1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 71928882
1-(4-([1,2,4]Triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl)-2-(benzo[d]isoxazol-3-yl)ethanone
CID 45501939
N-(2-((6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)-2-(benzo[d]isoxazol-3-yl)acetamide
CID 45502416
2-(benzo[d]isoxazol-3-yl)-N-(2-((2-methyl-6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)acetamide
CID 45502560
2-(benzo[d]isoxazol-3-yl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 49670652
N-(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-2-(benzo[d]isoxazol-3-yl)acetamide
CID 71790864
2-(1,2-benzisoxazol-3-yl)-N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)acetamide
CID 91797497
2-(benzo[d]isoxazol-3-yl)-N-(2-(4-((4-fluorobenzyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)acetamide
CID 45521322
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 100093532
2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 125527148
11-[3-(6-Fluoro-1,2-benzoxazol-3-yl)propyl]-3,4,6,13-tetrazapentacyclo[11.6.1.02,6.07,12.016,20]icosa-1(20),2,4,7(12),8,14,16-heptaen-10-one
CID 140356106
2-(benzo[d]isoxazol-3-yl)-N-(2-(5-(2-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)acetamide
CID 44040559

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 91837332) is 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(NC(=O)Cc1noc2ccccc12)c1nncn1C1CCCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is ZFSMOYOAJZISAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(18-21-19-11-23(18)13-6-2-3-7-13)20-17(24)10-15-14-8-4-5-9-16(14)25-22-15/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3,(H,20,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91837332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).