2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole

C21H14N4OS — CID 110170243

IUPAC2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole
SMILESCc1ccc(-c2ccc(-c3nnc(-c4ncco4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H14N4OS/c1-13-6-7-16(23-12-13)17-8-9-18(27-17)19-14-4-2-3-5-15(14)20(25-24-19)21-22-10-11-26-21/h2-12H,1H3
InChIKeyHADQZUDBFVQODB-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.38
Rot. Bonds3

About 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole

2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole (PubChem CID 110170243) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole
PubChem CID110170243
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole
SMILESCc1ccc(-c2ccc(-c3nnc(-c4ncco4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H14N4OS/c1-13-6-7-16(23-12-13)17-8-9-18(27-17)19-14-4-2-3-5-15(14)20(25-24-19)21-22-10-11-26-21/h2-12H,1H3
InChIKeyHADQZUDBFVQODB-UHFFFAOYSA-N
XLogP5.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
CID 118660754
N-(3-fluoro-4-pyridinyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118610854
N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617460
2-[2-(4-Fluorophenyl)-3-thiophen-2-ylquinoxalin-6-yl]-1,3-oxazole
CID 156410593
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-[2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110082760
5-[3-Methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide
CID 69287390
3-[5-[3-Methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 140140205
2-[5-Phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole
CID 140987684
2-(4-Carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055169
2-[4-[3-(1-Benzothiophen-2-yl)isoquinolin-7-yl]phenyl]-1,3-oxazole
CID 146648653
2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid
CID 163968808
2-Phthalazin-1-yl-1,3-oxazole
CID 174616305

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole (CID 110170243) is 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole is Cc1ccc(-c2ccc(-c3nnc(-c4ncco4)c4ccccc34)s2)nc1.
What is the InChIKey of 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole?
The InChIKey is HADQZUDBFVQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c1-13-6-7-16(23-12-13)17-8-9-18(27-17)19-14-4-2-3-5-15(14)20(25-24-19)21-22-10-11-26-21/h2-12H,1H3.
What are the key properties of 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole?
2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole has a molecular weight of 370.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 110170243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).