furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C22H25N5O3 — CID 46960064

IUPACfuran-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N3CCCC3)nc2C2CCCN(C(=O)c3ccco3)C2)on1
InChIInChI=1S/C22H25N5O3/c1-15-12-19(30-25-15)17-13-23-22(26-8-2-3-9-26)24-20(17)16-6-4-10-27(14-16)21(28)18-7-5-11-29-18/h5,7,11-13,16H,2-4,6,8-10,14H2,1H3
InChIKeyYMRKEUMNGIIVDO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.65
Rot. Bonds4

About furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone

furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 46960064) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID46960064
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namefuran-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N3CCCC3)nc2C2CCCN(C(=O)c3ccco3)C2)on1
InChIInChI=1S/C22H25N5O3/c1-15-12-19(30-25-15)17-13-23-22(26-8-2-3-9-26)24-20(17)16-6-4-10-27(14-16)21(28)18-7-5-11-29-18/h5,7,11-13,16H,2-4,6,8-10,14H2,1H3
InChIKeyYMRKEUMNGIIVDO-UHFFFAOYSA-N
XLogP3.65
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 46960064) is furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N3CCCC3)nc2C2CCCN(C(=O)c3ccco3)C2)on1.
What is the InChIKey of furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is YMRKEUMNGIIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-12-19(30-25-15)17-13-23-22(26-8-2-3-9-26)24-20(17)16-6-4-10-27(14-16)21(28)18-7-5-11-29-18/h5,7,11-13,16H,2-4,6,8-10,14H2,1H3.
What are the key properties of furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 407.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46960064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).