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

C14H25N3O4 — CID 164627062

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCCCCCc1nc(CNC(=O)[C@H](O)C(C)(C)CO)no1
InChIInChI=1S/C14H25N3O4/c1-4-5-6-7-11-16-10(17-21-11)8-15-13(20)12(19)14(2,3)9-18/h12,18-19H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyXRAVRNYSXMAUDZ-LBPRGKRZSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds9

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

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (PubChem CID 164627062) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
PubChem CID164627062
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCCCCCc1nc(CNC(=O)[C@H](O)C(C)(C)CO)no1
InChIInChI=1S/C14H25N3O4/c1-4-5-6-7-11-16-10(17-21-11)8-15-13(20)12(19)14(2,3)9-18/h12,18-19H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyXRAVRNYSXMAUDZ-LBPRGKRZSA-N
XLogP0.80
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (CID 164627062) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is CCCCCc1nc(CNC(=O)[C@H](O)C(C)(C)CO)no1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The InChIKey is XRAVRNYSXMAUDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-5-6-7-11-16-10(17-21-11)8-15-13(20)12(19)14(2,3)9-18/h12,18-19H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide has a molecular weight of 299.37 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is sourced from PubChem (CID 164627062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).