(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide

C16H28N2O4 — CID 164610794

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
SMILESCCCCCc1cc(CCNC(=O)[C@H](O)C(C)(C)CO)on1
InChIInChI=1S/C16H28N2O4/c1-4-5-6-7-12-10-13(22-18-12)8-9-17-15(21)14(20)16(2,3)11-19/h10,14,19-20H,4-9,11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyPDDJEVAWVCATRK-AWEZNQCLSA-N
MW312.41 g/mol
LogP1.45
Rot. Bonds10

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide (PubChem CID 164610794) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
PubChem CID164610794
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
SMILESCCCCCc1cc(CCNC(=O)[C@H](O)C(C)(C)CO)on1
InChIInChI=1S/C16H28N2O4/c1-4-5-6-7-12-10-13(22-18-12)8-9-17-15(21)14(20)16(2,3)11-19/h10,14,19-20H,4-9,11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyPDDJEVAWVCATRK-AWEZNQCLSA-N
XLogP1.45
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 ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide (CID 164610794) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide is CCCCCc1cc(CCNC(=O)[C@H](O)C(C)(C)CO)on1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide?
The InChIKey is PDDJEVAWVCATRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-4-5-6-7-12-10-13(22-18-12)8-9-17-15(21)14(20)16(2,3)11-19/h10,14,19-20H,4-9,11H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide has a molecular weight of 312.41 g/mol, XLogP of 1.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 164610794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).