N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide

C13H12N4O3S — CID 51317593

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccsc3c2=O)no1
InChIInChI=1S/C13H12N4O3S/c1-8-6-10(16-20-8)15-11(18)2-4-17-7-14-9-3-5-21-12(9)13(17)19/h3,5-7H,2,4H2,1H3,(H,15,16,18)
InChIKeySQBCNHOTLFCNRO-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.78
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 51317593) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID51317593
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccsc3c2=O)no1
InChIInChI=1S/C13H12N4O3S/c1-8-6-10(16-20-8)15-11(18)2-4-17-7-14-9-3-5-21-12(9)13(17)19/h3,5-7H,2,4H2,1H3,(H,15,16,18)
InChIKeySQBCNHOTLFCNRO-UHFFFAOYSA-N
XLogP1.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
CID 146082880
tert-butyl 3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanoate
CID 113222482
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
CID 51316282
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 62562895
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide (CID 51317593) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide is Cc1cc(NC(=O)CCn2cnc3ccsc3c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is SQBCNHOTLFCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-8-6-10(16-20-8)15-11(18)2-4-17-7-14-9-3-5-21-12(9)13(17)19/h3,5-7H,2,4H2,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 304.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 51317593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).