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

C16H25N3O4 — CID 44571586

IUPAC2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C16H25N3O4/c17-15(21)13-10-23-16(18-13)12(9-14(20)19-22)8-4-7-11-5-2-1-3-6-11/h10-12,22H,1-9H2,(H2,17,21)(H,19,20)/t12-/m1/s1
InChIKeyZFVXHCJYKWVCGU-GFCCVEGCSA-N
MW323.39 g/mol
LogP2.50
Rot. Bonds8

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

2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 44571586) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID44571586
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C16H25N3O4/c17-15(21)13-10-23-16(18-13)12(9-14(20)19-22)8-4-7-11-5-2-1-3-6-11/h10-12,22H,1-9H2,(H2,17,21)(H,19,20)/t12-/m1/s1
InChIKeyZFVXHCJYKWVCGU-GFCCVEGCSA-N
XLogP2.50
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
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]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide (CID 44571586) is 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide is NC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZFVXHCJYKWVCGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O4/c17-15(21)13-10-23-16(18-13)12(9-14(20)19-22)8-4-7-11-5-2-1-3-6-11/h10-12,22H,1-9H2,(H2,17,21)(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide?
2-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 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]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44571586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).