N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide

C14H18N2O3S — CID 122160647

IUPACN-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC(CCO)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-10-12(9-16-19-10)14(18)15-6-4-11(5-7-17)13-3-2-8-20-13/h2-3,8-9,11,17H,4-7H2,1H3,(H,15,18)
InChIKeyHNNBJMYWXZCRKH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.33
Rot. Bonds7

About N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122160647) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122160647
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC(CCO)c1cccs1
InChIInChI=1S/C14H18N2O3S/c1-10-12(9-16-19-10)14(18)15-6-4-11(5-7-17)13-3-2-8-20-13/h2-3,8-9,11,17H,4-7H2,1H3,(H,15,18)
InChIKeyHNNBJMYWXZCRKH-UHFFFAOYSA-N
XLogP2.33
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide
CID 122160193
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160763
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160762

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 122160647) is N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCC(CCO)c1cccs1.
What is the InChIKey of N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HNNBJMYWXZCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-12(9-16-19-10)14(18)15-6-4-11(5-7-17)13-3-2-8-20-13/h2-3,8-9,11,17H,4-7H2,1H3,(H,15,18).
What are the key properties of N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122160647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).