2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide

C18H29N3O4 — CID 10132648

IUPAC2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H29N3O4/c1-21(2)18(23)15-12-25-17(19-15)14(11-16(22)20-24)10-6-9-13-7-4-3-5-8-13/h12-14,24H,3-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXCNVYYDGOWJOOG-CQSZACIVSA-N
MW351.45 g/mol
LogP3.11
Rot. Bonds8

About 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide

2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 10132648) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID10132648
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H29N3O4/c1-21(2)18(23)15-12-25-17(19-15)14(11-16(22)20-24)10-6-9-13-7-4-3-5-8-13/h12-14,24H,3-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXCNVYYDGOWJOOG-CQSZACIVSA-N
XLogP3.11
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide (CID 10132648) is 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide is CN(C)C(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is XCNVYYDGOWJOOG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-21(2)18(23)15-12-25-17(19-15)14(11-16(22)20-24)10-6-9-13-7-4-3-5-8-13/h12-14,24H,3-11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide?
2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N,N-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10132648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).