N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide

C18H23ClN2O2 — CID 167088226

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)20-13-7-4-11(5-8-13)16-21-14-10-12(19)6-9-15(14)23-16/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeyGQDFVJQTOWJLRN-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.67
Rot. Bonds2

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide (PubChem CID 167088226) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide
PubChem CID167088226
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)20-13-7-4-11(5-8-13)16-21-14-10-12(19)6-9-15(14)23-16/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeyGQDFVJQTOWJLRN-UHFFFAOYSA-N
XLogP4.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60512011
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167088173
4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
CID 167088262
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-5-(propanoylsulfamoyl)furan-2-carboxamide
CID 170202871
(2S)-2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 119856629
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide
CID 167088167
methyl 4-[[5-[[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]carbamoyl]furan-2-yl]sulfonylamino]-4-oxobutanoate
CID 170202907
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
methyl N-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 51124820
tert-butyl N-[4-[(5-chloro-1,3-benzoxazol-2-yl)carbamoyl]cyclohexyl]carbamate
CID 166158864
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide (CID 167088226) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is GQDFVJQTOWJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-18(2,3)17(22)20-13-7-4-11(5-8-13)16-21-14-10-12(19)6-9-15(14)23-16/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 334.85 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167088226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).