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

C19H25N5O2 — CID 45228137

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H25N5O2/c1-2-16-17(22-13-26-16)18(25)24-11-6-15(12-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,13-15H,2,4-6,9-12H2,1H3
InChIKeySNMQWABJEHVCAG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds4

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

(5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 45228137) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID45228137
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H25N5O2/c1-2-16-17(22-13-26-16)18(25)24-11-6-15(12-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,13-15H,2,4-6,9-12H2,1H3
InChIKeySNMQWABJEHVCAG-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 (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 45228137) is (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CCc1ocnc1C(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SNMQWABJEHVCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-16-17(22-13-26-16)18(25)24-11-6-15(12-24)14-4-9-23(10-5-14)19-20-7-3-8-21-19/h3,7-8,13-15H,2,4-6,9-12H2,1H3.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,3-oxazol-4-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 (5-ethyl-1,3-oxazol-4-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45228137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).