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

C15H26N2O4 — CID 164616236

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)no1
InChIInChI=1S/C15H26N2O4/c1-4-5-6-7-12-8-11(17-21-12)9-16-14(20)13(19)15(2,3)10-18/h8,13,18-19H,4-7,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyRZFXVOFXYBOJRM-ZDUSSCGKSA-N
MW298.38 g/mol
LogP1.40
Rot. Bonds9

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

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 164616236) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID164616236
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCCCCCc1cc(CNC(=O)[C@H](O)C(C)(C)CO)no1
InChIInChI=1S/C15H26N2O4/c1-4-5-6-7-12-8-11(17-21-12)9-16-14(20)13(19)15(2,3)10-18/h8,13,18-19H,4-7,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyRZFXVOFXYBOJRM-ZDUSSCGKSA-N
XLogP1.40
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.40
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)-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
(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164622759
(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
2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 51050537
N-{2-[2-(hydroxymethyl)-1-piperidinyl]ethyl}-3-isopropyl-5-isoxazolecarboxamide
CID 70734334
(3S,14R,16S)-16-[(1R)-2-[2-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]propan-2-ylamino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 166612067
(3S,14R,16S)-16-[(1R)-2-[[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]methylamino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 166612069

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide (CID 164616236) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide is CCCCCc1cc(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-oxazol-3-yl)methyl]butanamide?
The InChIKey is RZFXVOFXYBOJRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-5-6-7-12-8-11(17-21-12)9-16-14(20)13(19)15(2,3)10-18/h8,13,18-19H,4-7,9-10H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 298.38 g/mol, XLogP of 1.40, 9 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-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 164616236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).