4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C23H25N5O2 — CID 165437043

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cc(-c2nc(-c3c(C)noc3C)cc(N3CCOCC3C)n2)c2cc[nH]c2c1
InChIInChI=1S/C23H25N5O2/c1-13-9-18(17-5-6-24-19(17)10-13)23-25-20(22-15(3)27-30-16(22)4)11-21(26-23)28-7-8-29-12-14(28)2/h5-6,9-11,14,24H,7-8,12H2,1-4H3
InChIKeyMXWOHUASPLUUKE-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.43
Rot. Bonds3

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 165437043) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID165437043
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cc(-c2nc(-c3c(C)noc3C)cc(N3CCOCC3C)n2)c2cc[nH]c2c1
InChIInChI=1S/C23H25N5O2/c1-13-9-18(17-5-6-24-19(17)10-13)23-25-20(22-15(3)27-30-16(22)4)11-21(26-23)28-7-8-29-12-14(28)2/h5-6,9-11,14,24H,7-8,12H2,1-4H3
InChIKeyMXWOHUASPLUUKE-UHFFFAOYSA-N
XLogP4.43
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 165437043) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1cc(-c2nc(-c3c(C)noc3C)cc(N3CCOCC3C)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is MXWOHUASPLUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13-9-18(17-5-6-24-19(17)10-13)23-25-20(22-15(3)27-30-16(22)4)11-21(26-23)28-7-8-29-12-14(28)2/h5-6,9-11,14,24H,7-8,12H2,1-4H3.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 403.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-methyl-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 165437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).