N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H17BrN2O2 — CID 114309103

IUPACN-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(Br)CC2)o1
InChIInChI=1S/C12H17BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-9(13)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUQSRCTZHBVHNCE-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.73
Rot. Bonds2

About N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114309103) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114309103
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(Br)CC2)o1
InChIInChI=1S/C12H17BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-9(13)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUQSRCTZHBVHNCE-UHFFFAOYSA-N
XLogP2.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-(3-methylcyclopentyl)-1,3-oxazole-5-carboxamide
CID 114550016
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965
2,4-dimethyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-oxazole-5-carboxamide
CID 124504718
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
CID 91763879
N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106366658
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 154789593
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491804

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114309103) is N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCC(Br)CC2)o1.
What is the InChIKey of N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is UQSRCTZHBVHNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-9(13)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114309103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).