N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide

C16H20N2O2 — CID 110790911

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccc2ncoc2c1)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h6-7,10-11,13H,1-5,8-9H2,(H,17,19)
InChIKeyIPHNIDGMNMCYMV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide (PubChem CID 110790911) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide
PubChem CID110790911
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccc2ncoc2c1)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h6-7,10-11,13H,1-5,8-9H2,(H,17,19)
InChIKeyIPHNIDGMNMCYMV-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide (CID 110790911) is N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1ccc2ncoc2c1)C1CCCCC1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is IPHNIDGMNMCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)17-9-8-12-6-7-14-15(10-12)20-11-18-14/h6-7,10-11,13H,1-5,8-9H2,(H,17,19).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110790911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).