N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H18N2O4 — CID 113365344

IUPACN-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCOCCO)o1
InChIInChI=1S/C11H18N2O4/c1-8-10(17-9(2)13-8)11(15)12-4-3-6-16-7-5-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQSTLKPWGZBFHBM-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.42
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 113365344) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID113365344
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCOCCO)o1
InChIInChI=1S/C11H18N2O4/c1-8-10(17-9(2)13-8)11(15)12-4-3-6-16-7-5-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQSTLKPWGZBFHBM-UHFFFAOYSA-N
XLogP0.42
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 113365344) is N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCCOCCO)o1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is QSTLKPWGZBFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8-10(17-9(2)13-8)11(15)12-4-3-6-16-7-5-14/h14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113365344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).