N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C16H20N2O2 — CID 108794252

IUPACN-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NC3CCCC3)noc2c1
InChIInChI=1S/C16H20N2O2/c1-10-7-11(2)16-13(18-20-14(16)8-10)9-15(19)17-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,17,19)
InChIKeySLENHXPKYGDKKB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.05
Rot. Bonds3

About N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108794252) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108794252
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)NC3CCCC3)noc2c1
InChIInChI=1S/C16H20N2O2/c1-10-7-11(2)16-13(18-20-14(16)8-10)9-15(19)17-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,17,19)
InChIKeySLENHXPKYGDKKB-UHFFFAOYSA-N
XLogP3.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108791964
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745706
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970
4-[[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 108794325
N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794386
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108726619
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806013
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 108794350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108794252) is N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)NC3CCCC3)noc2c1.
What is the InChIKey of N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is SLENHXPKYGDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-11(2)16-13(18-20-14(16)8-10)9-15(19)17-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108794252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).