N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C16H20N2O2 — CID 108791964

IUPACN-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)NC3CCCC3)c2cc1C
InChIInChI=1S/C16H20N2O2/c1-10-7-13-14(18-20-15(13)8-11(10)2)9-16(19)17-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyYXWSTWBSLBQAPH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.05
Rot. Bonds3

About N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108791964) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108791964
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)NC3CCCC3)c2cc1C
InChIInChI=1S/C16H20N2O2/c1-10-7-13-14(18-20-15(13)8-11(10)2)9-16(19)17-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyYXWSTWBSLBQAPH-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-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108792103
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-3-sulfanylpropanoic acid
CID 108792070
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 108792033
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108740199
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108791964) is N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc2onc(CC(=O)NC3CCCC3)c2cc1C.
What is the InChIKey of N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is YXWSTWBSLBQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-13-14(18-20-15(13)8-11(10)2)9-16(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-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-cyclopentyl-2-(5,6-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-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).