N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C20H36N2O4 — CID 142441870

IUPACN-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCCCCCCCCCc1cc(CCC(CO)(CO)NC(C)=O)on1
InChIInChI=1S/C20H36N2O4/c1-3-4-5-6-7-8-9-10-11-18-14-19(26-22-18)12-13-20(15-23,16-24)21-17(2)25/h14,23-24H,3-13,15-16H2,1-2H3,(H,21,25)
InChIKeyZFTKONFHBAOMGQ-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.15
Rot. Bonds15

About N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 142441870) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID142441870
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC NameN-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCCCCCCCCCc1cc(CCC(CO)(CO)NC(C)=O)on1
InChIInChI=1S/C20H36N2O4/c1-3-4-5-6-7-8-9-10-11-18-14-19(26-22-18)12-13-20(15-23,16-24)21-17(2)25/h14,23-24H,3-13,15-16H2,1-2H3,(H,21,25)
InChIKeyZFTKONFHBAOMGQ-UHFFFAOYSA-N
XLogP3.15
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.15
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 N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 142441870) is N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCCCCCCCCCc1cc(CCC(CO)(CO)NC(C)=O)on1.
What is the InChIKey of N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is ZFTKONFHBAOMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-3-4-5-6-7-8-9-10-11-18-14-19(26-22-18)12-13-20(15-23,16-24)21-17(2)25/h14,23-24H,3-13,15-16H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 368.52 g/mol, XLogP of 3.15, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-decyl-1,2-oxazol-5-yl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 142441870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).