7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C24H16ClN3O2S — CID 60614598

IUPAC7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C24H16ClN3O2S/c25-18-11-12-20-26-19(13-21(29)28(20)14-18)15-31-24-27-22(16-7-3-1-4-8-16)23(30-24)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeySPCLTUSRJYOGAE-UHFFFAOYSA-N
MW445.93 g/mol
LogP5.96
Rot. Bonds5

About 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60614598) has the molecular formula C24H16ClN3O2S and a molecular weight of 445.93 g/mol. Its IUPAC name is 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60614598
Molecular FormulaC24H16ClN3O2S
Molecular Weight445.93 g/mol
Exact Mass445.07
IUPAC Name7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C24H16ClN3O2S/c25-18-11-12-20-26-19(13-21(29)28(20)14-18)15-31-24-27-22(16-7-3-1-4-8-16)23(30-24)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeySPCLTUSRJYOGAE-UHFFFAOYSA-N
XLogP5.96
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.93
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 60614598) is 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SPCLTUSRJYOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2S/c25-18-11-12-20-26-19(13-21(29)28(20)14-18)15-31-24-27-22(16-7-3-1-4-8-16)23(30-24)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 445.93 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60614598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).