[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone

C24H23N5O2 — CID 16670131

IUPAC[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)on1
InChIInChI=1S/C24H23N5O2/c1-15-12-22(31-28-15)20-14-26-16(2)27-23(20)17-7-10-29(11-8-17)24(30)19-5-6-21-18(13-19)4-3-9-25-21/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3
InChIKeyOJBCOZBPABDFOX-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.32
Rot. Bonds3

About [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone

[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 16670131) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID16670131
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)on1
InChIInChI=1S/C24H23N5O2/c1-15-12-22(31-28-15)20-14-26-16(2)27-23(20)17-7-10-29(11-8-17)24(30)19-5-6-21-18(13-19)4-3-9-25-21/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3
InChIKeyOJBCOZBPABDFOX-UHFFFAOYSA-N
XLogP4.32
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 16670131) is [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone is Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)on1.
What is the InChIKey of [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is OJBCOZBPABDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-12-22(31-28-15)20-14-26-16(2)27-23(20)17-7-10-29(11-8-17)24(30)19-5-6-21-18(13-19)4-3-9-25-21/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3.
What are the key properties of [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 413.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 16670131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).