7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one

C16H22N2O2S — CID 158175693

IUPAC7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one
SMILESCN(C)CCCCCCC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H22N2O2S/c1-18(2)10-6-4-3-5-8-14(19)13-12-15(20-17-13)16-9-7-11-21-16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyILFPEPVTAVJFQO-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.10
Rot. Bonds9

About 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one

7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one (PubChem CID 158175693) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

Compound Name7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one
PubChem CID158175693
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one
SMILESCN(C)CCCCCCC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H22N2O2S/c1-18(2)10-6-4-3-5-8-14(19)13-12-15(20-17-13)16-9-7-11-21-16/h7,9,11-12H,3-6,8,10H2,1-2H3
InChIKeyILFPEPVTAVJFQO-UHFFFAOYSA-N
XLogP4.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[7-oxo-7-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptanoyl]pyridine-3-carboxylate
CID 161297693
7-[(3S,4S)-3-acetyl-4-hydroxypyrrolidin-1-yl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one
CID 163663953
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
tert-butyl 4-[3,7-dioxo-7-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptyl]piperazine-1-carboxylate
CID 160563650
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
7-(3-aminoazetidin-1-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one;2-hydroxy-N-methylacetamide;[2-(methylamino)-2-oxoethyl] 2-[1-[7-oxo-7-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptyl]azetidin-3-yl]acetate
CID 163427954
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134054677
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 64510105
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 107434740

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one?
The IUPAC name of 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one (CID 158175693) is 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one.
What is the SMILES notation for 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one?
The canonical SMILES for 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one is CN(C)CCCCCCC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one?
The InChIKey is ILFPEPVTAVJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-18(2)10-6-4-3-5-8-14(19)13-12-15(20-17-13)16-9-7-11-21-16/h7,9,11-12H,3-6,8,10H2,1-2H3.
What are the key properties of 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one?
7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 306.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 158175693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).