N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide

C16H20N2O2 — CID 110278943

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1nc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c1-11(17-15(19)12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyISHIAKICIIWOQA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.59
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 110278943) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID110278943
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1nc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c1-11(17-15(19)12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyISHIAKICIIWOQA-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide (CID 110278943) is N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ISHIAKICIIWOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(17-15(19)12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110278943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).