5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide

C22H15N5O2S — CID 44528630

IUPAC5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C22H15N5O2S/c1-13-17(18(27-29-13)14-7-3-2-4-8-14)22(28)26-21-19-15(10-12-30-19)24-20(25-21)16-9-5-6-11-23-16/h2-12H,1H3,(H,24,25,26,28)
InChIKeyBSMFJCQSBOFVSB-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.97
Rot. Bonds4

About 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide (PubChem CID 44528630) has the molecular formula C22H15N5O2S and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide
PubChem CID44528630
Molecular FormulaC22H15N5O2S
Molecular Weight413.46 g/mol
Exact Mass413.09
IUPAC Name5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C22H15N5O2S/c1-13-17(18(27-29-13)14-7-3-2-4-8-14)22(28)26-21-19-15(10-12-30-19)24-20(25-21)16-9-5-6-11-23-16/h2-12H,1H3,(H,24,25,26,28)
InChIKeyBSMFJCQSBOFVSB-UHFFFAOYSA-N
XLogP4.97
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide (CID 44528630) is 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12.
What is the InChIKey of 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is BSMFJCQSBOFVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2S/c1-13-17(18(27-29-13)14-7-3-2-4-8-14)22(28)26-21-19-15(10-12-30-19)24-20(25-21)16-9-5-6-11-23-16/h2-12H,1H3,(H,24,25,26,28).
What are the key properties of 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 44528630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).