(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C15H23N3O4 — CID 125001962

IUPAC(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)no1
InChIInChI=1S/C15H23N3O4/c1-2-12-9-13(16-22-12)14(19)18-4-3-15(20,11-18)10-17-5-7-21-8-6-17/h9,20H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeySGZRKESJIACUKY-OAHLLOKOSA-N
MW309.37 g/mol
LogP0.15
Rot. Bonds4

About (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 125001962) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID125001962
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)no1
InChIInChI=1S/C15H23N3O4/c1-2-12-9-13(16-22-12)14(19)18-4-3-15(20,11-18)10-17-5-7-21-8-6-17/h9,20H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeySGZRKESJIACUKY-OAHLLOKOSA-N
XLogP0.15
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 125001962) is (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)no1.
What is the InChIKey of (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SGZRKESJIACUKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-12-9-13(16-22-12)14(19)18-4-3-15(20,11-18)10-17-5-7-21-8-6-17/h9,20H,2-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).