N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide

C12H20N2O3 — CID 111662305

IUPACN-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-3-4-10(5-6-15)8-13-12(16)11-7-9(2)17-14-11/h7,10,15H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyHCCQBPLZPGNHNZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 111662305) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID111662305
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-3-4-10(5-6-15)8-13-12(16)11-7-9(2)17-14-11/h7,10,15H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyHCCQBPLZPGNHNZ-UHFFFAOYSA-N
XLogP1.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
CID 111697387
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103820655
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 111662305) is N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide is CCCC(CCO)CNC(=O)c1cc(C)on1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HCCQBPLZPGNHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-10(5-6-15)8-13-12(16)11-7-9(2)17-14-11/h7,10,15H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).