6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

C14H16N2O4S — CID 43170031

IUPAC6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N2O4S/c17-13(18)6-2-1-3-7-15-14(19)10-9-11(20-16-10)12-5-4-8-21-12/h4-5,8-9H,1-3,6-7H2,(H,15,19)(H,17,18)
InChIKeyWNPKTGLNAFODLN-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.78
Rot. Bonds8

About 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid

6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (PubChem CID 43170031) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
PubChem CID43170031
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H16N2O4S/c17-13(18)6-2-1-3-7-15-14(19)10-9-11(20-16-10)12-5-4-8-21-12/h4-5,8-9H,1-3,6-7H2,(H,15,19)(H,17,18)
InChIKeyWNPKTGLNAFODLN-UHFFFAOYSA-N
XLogP2.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.78
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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Related Compounds

boranuide;N-(5-hydroxypentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-(5-oxopentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 160849837
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334854
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
methyl 1-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]azetidine-3-carboxylate
CID 135334759
methyl 4-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]piperazine-1-carboxylate
CID 135334809
N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877088
N-[5-[(3R,4R)-3-carbamoyl-4-hydroxypyrrolidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 146446912
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789

Frequently Asked Questions

What is the IUPAC name of 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid (CID 43170031) is 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
The InChIKey is WNPKTGLNAFODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(18)6-2-1-3-7-15-14(19)10-9-11(20-16-10)12-5-4-8-21-12/h4-5,8-9H,1-3,6-7H2,(H,15,19)(H,17,18).
What are the key properties of 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid?
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43170031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).