(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C19H25N5O2 — CID 45232967

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(C3CCN(c4ncccn4)CC3)C2)on1
InChIInChI=1S/C19H25N5O2/c1-2-16-12-17(26-22-16)18(25)24-11-6-15(13-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,12,14-15H,2,4-6,9-11,13H2,1H3
InChIKeyGKXCVMHLSWCXAU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds4

About (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 45232967) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID45232967
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(C3CCN(c4ncccn4)CC3)C2)on1
InChIInChI=1S/C19H25N5O2/c1-2-16-12-17(26-22-16)18(25)24-11-6-15(13-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,12,14-15H,2,4-6,9-11,13H2,1H3
InChIKeyGKXCVMHLSWCXAU-UHFFFAOYSA-N
XLogP2.41
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 45232967) is (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(C3CCN(c4ncccn4)CC3)C2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GKXCVMHLSWCXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-16-12-17(26-22-16)18(25)24-11-6-15(13-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,12,14-15H,2,4-6,9-11,13H2,1H3.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45232967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).