2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide

C18H13N3O2S — CID 46868931

IUPAC2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1
InChIInChI=1S/C18H13N3O2S/c22-16(10-12-2-1-3-13-11-19-6-4-14(12)13)21-15-5-9-24-17(15)18-20-7-8-23-18/h1-9,11H,10H2,(H,21,22)
InChIKeyLXBGKEBHKHJTIX-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.13
Rot. Bonds4

About 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide

2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide (PubChem CID 46868931) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide
PubChem CID46868931
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1
InChIInChI=1S/C18H13N3O2S/c22-16(10-12-2-1-3-13-11-19-6-4-14(12)13)21-15-5-9-24-17(15)18-20-7-8-23-18/h1-9,11H,10H2,(H,21,22)
InChIKeyLXBGKEBHKHJTIX-UHFFFAOYSA-N
XLogP4.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(2-(oxazol-2-yl)thiophen-3-yl)acetamide
CID 46869000
Methyl 3-(2-(isoquinolin-5-yl)acetamido)thiophene-2-carboxylate
CID 52949817
2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 24666211
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 11494628
2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
3,5-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703382
N-(2,6-difluorophenyl)-13-(1,3-oxazol-2-yl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 68404441
2-fluoro-6-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]benzamide
CID 70313222
2-fluoro-6-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 70957459
5-[2-(Oxan-4-yl)thieno[3,2-c]isoquinolin-8-yl]-1,3-oxazole
CID 168926632
2,6-difluoro-N-[4-[2-methyl-4-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 16664614
7-fluoro-2-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-3-carboxamide
CID 41711268

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide (CID 46868931) is 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide is O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1.
What is the InChIKey of 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide?
The InChIKey is LXBGKEBHKHJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-16(10-12-2-1-3-13-11-19-6-4-14(12)13)21-15-5-9-24-17(15)18-20-7-8-23-18/h1-9,11H,10H2,(H,21,22).
What are the key properties of 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide?
2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46868931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).