2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C15H13N3O2S — CID 177413606

IUPAC2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1csc(-c2cc(C3=NCCO3)nc(C3=NCCO3)c2)c1
InChIInChI=1S/C15H13N3O2S/c1-2-13(21-7-1)10-8-11(14-16-3-5-19-14)18-12(9-10)15-17-4-6-20-15/h1-2,7-9H,3-6H2
InChIKeyZQIHTJNTCBONFX-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.36
Rot. Bonds3

About 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 177413606) has the molecular formula C15H13N3O2S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID177413606
Molecular FormulaC15H13N3O2S
Molecular Weight299.35 g/mol
Exact Mass299.07
IUPAC Name2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1csc(-c2cc(C3=NCCO3)nc(C3=NCCO3)c2)c1
InChIInChI=1S/C15H13N3O2S/c1-2-13(21-7-1)10-8-11(14-16-3-5-19-14)18-12(9-10)15-17-4-6-20-15/h1-2,7-9H,3-6H2
InChIKeyZQIHTJNTCBONFX-UHFFFAOYSA-N
XLogP2.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
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CID 10734487
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
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4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 828047
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3,5-dibromophenyl)thiophene
CID 19006176
6-chloro-4-thiophen-2-ylpyridin-2-amine
CID 96614062
2-chloro-6-cyclohexa-1,5-dien-1-yl-4-thiophen-2-ylpyridine
CID 143895726

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 177413606) is 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1csc(-c2cc(C3=NCCO3)nc(C3=NCCO3)c2)c1.
What is the InChIKey of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZQIHTJNTCBONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-13(21-7-1)10-8-11(14-16-3-5-19-14)18-12(9-10)15-17-4-6-20-15/h1-2,7-9H,3-6H2.
What are the key properties of 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 299.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-4-thiophen-2-yl-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 177413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).