6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone

C17H14N2O2S — CID 91625048

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCc2oncc2C1
InChIInChI=1S/C17H14N2O2S/c20-17(19-8-7-15-14(11-19)10-18-21-15)13-5-3-12(4-6-13)16-2-1-9-22-16/h1-6,9-10H,7-8,11H2
InChIKeyJNRNMOSUCUVJFO-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.60
Rot. Bonds2

About 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone (PubChem CID 91625048) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone
PubChem CID91625048
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCc2oncc2C1
InChIInChI=1S/C17H14N2O2S/c20-17(19-8-7-15-14(11-19)10-18-21-15)13-5-3-12(4-6-13)16-2-1-9-22-16/h1-6,9-10H,7-8,11H2
InChIKeyJNRNMOSUCUVJFO-UHFFFAOYSA-N
XLogP3.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 72719472
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 86265118
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 90587201
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777425
N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801349
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301
1-[2-(4-thiophen-2-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97448869
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
1H-imidazol-5-yl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 28881344
(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 86265117

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone (CID 91625048) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCc2oncc2C1.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is JNRNMOSUCUVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-17(19-8-7-15-14(11-19)10-18-21-15)13-5-3-12(4-6-13)16-2-1-9-22-16/h1-6,9-10H,7-8,11H2.
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 310.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 91625048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).