2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole

C22H16N4OS — CID 140979833

IUPAC2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1ccc(C2(c3ncccn3)NC(c3ccccn3)=C(c3cccs3)O2)cc1
InChIInChI=1S/C22H16N4OS/c1-2-8-16(9-3-1)22(21-24-13-7-14-25-21)26-19(17-10-4-5-12-23-17)20(27-22)18-11-6-15-28-18/h1-15,26H
InChIKeyCKAZQYMCYQVXNA-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.28
Rot. Bonds4

About 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole

2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 140979833) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole
PubChem CID140979833
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1ccc(C2(c3ncccn3)NC(c3ccccn3)=C(c3cccs3)O2)cc1
InChIInChI=1S/C22H16N4OS/c1-2-8-16(9-3-1)22(21-24-13-7-14-25-21)26-19(17-10-4-5-12-23-17)20(27-22)18-11-6-15-28-18/h1-15,26H
InChIKeyCKAZQYMCYQVXNA-UHFFFAOYSA-N
XLogP4.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-fluorophenyl)-2-(4-methylthiophen-2-yl)-1-oxido-1H-imidazol-1-ium-5-yl]-2-phenoxypyrimidine
CID 88112396
N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 5191260
4-[2-Pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363456
4-[2-Pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363739
2-Methyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6-thiophen-3-ylmorpholine
CID 133379378
N-[(3-methoxyphenyl)methyl]-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 46953076
5-{[3-(2-Pyridinylmethoxy)-1-piperidinyl]methyl}-2-(2-thienyl)pyrimidine
CID 56891176
2-Phenylmethoxy-1-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 132464359
4-(2-Imidazol-1-ylethoxy)-5-phenyl-6-thiophen-2-ylpyrimidin-2-amine
CID 21760031
1-[2-(2-Tert-butylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
CID 57405840
(9E)-12-methyl-15-(4-methylpiperazin-1-yl)-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 57911953
6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 58707187

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole (CID 140979833) is 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole is c1ccc(C2(c3ncccn3)NC(c3ccccn3)=C(c3cccs3)O2)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is CKAZQYMCYQVXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-2-8-16(9-3-1)22(21-24-13-7-14-25-21)26-19(17-10-4-5-12-23-17)20(27-22)18-11-6-15-28-18/h1-15,26H.
What are the key properties of 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole?
2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 384.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 140979833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).