N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide

C14H15ClN2O2 — CID 20965272

IUPACN-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-6-11-12(8-10)19-14(16-11)17-13(18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17,18)
InChIKeyQADRQJGRPDDTLJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.00
Rot. Bonds3

About N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide

N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide (PubChem CID 20965272) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
PubChem CID20965272
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-6-11-12(8-10)19-14(16-11)17-13(18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17,18)
InChIKeyQADRQJGRPDDTLJ-UHFFFAOYSA-N
XLogP4.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide (CID 20965272) is N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1nc2ccc(Cl)cc2o1.
What is the InChIKey of N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide?
The InChIKey is QADRQJGRPDDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-5-6-11-12(8-10)19-14(16-11)17-13(18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17,18).
What are the key properties of N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide?
N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide has a molecular weight of 278.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 20965272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).