N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C17H13N5O3S — CID 91632375

IUPACN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H13N5O3S/c23-16(13-8-14(25-21-13)11-2-1-4-18-9-11)19-5-6-22-10-20-12-3-7-26-15(12)17(22)24/h1-4,7-10H,5-6H2,(H,19,23)
InChIKeyVRBMQSBCFWYIQS-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 91632375) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID91632375
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H13N5O3S/c23-16(13-8-14(25-21-13)11-2-1-4-18-9-11)19-5-6-22-10-20-12-3-7-26-15(12)17(22)24/h1-4,7-10H,5-6H2,(H,19,23)
InChIKeyVRBMQSBCFWYIQS-UHFFFAOYSA-N
XLogP1.94
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 91632375) is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VRBMQSBCFWYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-16(13-8-14(25-21-13)11-2-1-4-18-9-11)19-5-6-22-10-20-12-3-7-26-15(12)17(22)24/h1-4,7-10H,5-6H2,(H,19,23).
What are the key properties of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91632375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).