N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C14H16N4O3S — CID 51530524

IUPACN-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccon1
InChIInChI=1S/C14H16N4O3S/c1-8(2)10-6-13(20)18-9(7-22-14(18)15-10)5-12(19)16-11-3-4-21-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,19)/t9-/m0/s1
InChIKeyOMPMNWXZMCCXJA-VIFPVBQESA-N
MW320.37 g/mol
LogP2.03
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 51530524) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID51530524
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccon1
InChIInChI=1S/C14H16N4O3S/c1-8(2)10-6-13(20)18-9(7-22-14(18)15-10)5-12(19)16-11-3-4-21-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,19)/t9-/m0/s1
InChIKeyOMPMNWXZMCCXJA-VIFPVBQESA-N
XLogP2.03
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 51530524) is N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is OMPMNWXZMCCXJA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8(2)10-6-13(20)18-9(7-22-14(18)15-10)5-12(19)16-11-3-4-21-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,17,19)/t9-/m0/s1.
What are the key properties of N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51530524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).