2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide

C24H32N2O5S — CID 22505123

IUPAC2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(O)C(=O)C1CCCCC1c1nc(-c2ccc(S(C)(=O)=O)cc2)c(C2CCCCC2)o1
InChIInChI=1S/C24H32N2O5S/c1-26(28)24(27)20-11-7-6-10-19(20)23-25-21(22(31-23)17-8-4-3-5-9-17)16-12-14-18(15-13-16)32(2,29)30/h12-15,17,19-20,28H,3-11H2,1-2H3
InChIKeyVXTSTVPECCSVFC-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.91
Rot. Bonds5

About 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide

2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 22505123) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID22505123
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(O)C(=O)C1CCCCC1c1nc(-c2ccc(S(C)(=O)=O)cc2)c(C2CCCCC2)o1
InChIInChI=1S/C24H32N2O5S/c1-26(28)24(27)20-11-7-6-10-19(20)23-25-21(22(31-23)17-8-4-3-5-9-17)16-12-14-18(15-13-16)32(2,29)30/h12-15,17,19-20,28H,3-11H2,1-2H3
InChIKeyVXTSTVPECCSVFC-UHFFFAOYSA-N
XLogP4.91
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one
CID 11439406
3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
CID 87973590
2-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505648
2-benzyl-5-cyclohex-2-en-1-yl-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701626
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine
CID 124856734
4-cyclohexyl-1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 19356017
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
5-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
CID 10270631
2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 44548743
5-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1-methyl-4-(4-methylsulfonylphenyl)imidazole
CID 44553565
3-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]prop-2-enyl N-hydroxy-N-methylcarbamodithioate
CID 87973390
(4-methoxyphenyl) 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]piperidine-1-carboxylate
CID 25101690

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide (CID 22505123) is 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide is CN(O)C(=O)C1CCCCC1c1nc(-c2ccc(S(C)(=O)=O)cc2)c(C2CCCCC2)o1.
What is the InChIKey of 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is VXTSTVPECCSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-26(28)24(27)20-11-7-6-10-19(20)23-25-21(22(31-23)17-8-4-3-5-9-17)16-12-14-18(15-13-16)32(2,29)30/h12-15,17,19-20,28H,3-11H2,1-2H3.
What are the key properties of 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide?
2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 22505123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).