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

C17H27N3O4 — CID 72839519

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)o1
InChIInChI=1S/C17H27N3O4/c1-3-15-18-12(2)16(24-15)17(22)20-9-13(14(10-20)11-21)8-19-4-6-23-7-5-19/h13-14,21H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyXOOBOOAMZXHGQM-ZIAGYGMSSA-N
MW337.42 g/mol
LogP0.56
Rot. Bonds5

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

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 72839519) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID72839519
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)o1
InChIInChI=1S/C17H27N3O4/c1-3-15-18-12(2)16(24-15)17(22)20-9-13(14(10-20)11-21)8-19-4-6-23-7-5-19/h13-14,21H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyXOOBOOAMZXHGQM-ZIAGYGMSSA-N
XLogP0.56
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 72839519) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XOOBOOAMZXHGQM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-15-18-12(2)16(24-15)17(22)20-9-13(14(10-20)11-21)8-19-4-6-23-7-5-19/h13-14,21H,3-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72839519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).