(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C16H28N2O4 — CID 164622759

IUPAC(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)on1
InChIInChI=1S/C16H28N2O4/c1-4-5-6-7-8-12-9-13(22-18-12)10-17-15(21)14(20)16(2,3)11-19/h9,14,19-20H,4-8,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyFDUOQRHEAOESDM-AWEZNQCLSA-N
MW312.41 g/mol
LogP1.79
Rot. Bonds10

About (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 164622759) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID164622759
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)on1
InChIInChI=1S/C16H28N2O4/c1-4-5-6-7-8-12-9-13(22-18-12)10-17-15(21)14(20)16(2,3)11-19/h9,14,19-20H,4-8,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyFDUOQRHEAOESDM-AWEZNQCLSA-N
XLogP1.79
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(5-hexyl-1,2-oxazol-3-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164613373
(2R)-N-[(3-butyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164615120
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
CID 164616236
(2R)-N-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164617332
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1,2-oxazol-5-yl)methyl]butanamide
CID 164623436
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 164610794
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
CID 164616667
(3S,14R,16S)-16-[(1R)-2-[[(1S)-1-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]ethyl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 166612070
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774206
N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
CID 56774235
N-{2-[2-(hydroxymethyl)-1-piperidinyl]ethyl}-3-isopropyl-5-isoxazolecarboxamide
CID 70734334
N-[3-(1-azepanyl)-2-hydroxypropyl]-3-isobutyl-5-isoxazolecarboxamide
CID 70771893

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 164622759) is (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)on1.
What is the InChIKey of (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is FDUOQRHEAOESDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-4-5-6-7-8-12-9-13(22-18-12)10-17-15(21)14(20)16(2,3)11-19/h9,14,19-20H,4-8,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 164622759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).