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

C15H20N2O3S — CID 103722645

IUPACN-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N2O3S/c1-2-4-11(6-7-18)10-16-15(19)12-9-13(20-17-12)14-5-3-8-21-14/h3,5,8-9,11,18H,2,4,6-7,10H2,1H3,(H,16,19)
InChIKeyJQLREVCBPZEMNU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.93
Rot. Bonds8

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

N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 103722645) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID103722645
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N2O3S/c1-2-4-11(6-7-18)10-16-15(19)12-9-13(20-17-12)14-5-3-8-21-14/h3,5,8-9,11,18H,2,4,6-7,10H2,1H3,(H,16,19)
InChIKeyJQLREVCBPZEMNU-UHFFFAOYSA-N
XLogP2.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
CID 111697387
N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 78121925
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35577892
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 103722645) is N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CCCC(CCO)CNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JQLREVCBPZEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-4-11(6-7-18)10-16-15(19)12-9-13(20-17-12)14-5-3-8-21-14/h3,5,8-9,11,18H,2,4,6-7,10H2,1H3,(H,16,19).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103722645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).