N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C22H18N4O3S — CID 135415826

IUPACN-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1
InChIInChI=1S/C22H18N4O3S/c1-14-12-17(27)25-22(23-14)30-13-18(28)24-21-26-19(15-8-4-2-5-9-15)20(29-21)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,23,25,27)(H,24,26,28)
InChIKeyADRDQMFPCXWBHU-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.13
Rot. Bonds6

About N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135415826) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135415826
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1
InChIInChI=1S/C22H18N4O3S/c1-14-12-17(27)25-22(23-14)30-13-18(28)24-21-26-19(15-8-4-2-5-9-15)20(29-21)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,23,25,27)(H,24,26,28)
InChIKeyADRDQMFPCXWBHU-UHFFFAOYSA-N
XLogP4.13
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135415826) is N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1.
What is the InChIKey of N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is ADRDQMFPCXWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-14-12-17(27)25-22(23-14)30-13-18(28)24-21-26-19(15-8-4-2-5-9-15)20(29-21)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,23,25,27)(H,24,26,28).
What are the key properties of N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135415826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).