(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

C19H29N3O4 — CID 70743247

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C19H29N3O4/c1-12-6-21(7-13(2)25-12)8-15-9-22(10-16(15)11-23)19(24)18-5-17(20-26-18)14-3-4-14/h5,12-16,23H,3-4,6-11H2,1-2H3/t12-,13+,15-,16-/m1/s1
InChIKeyZOBCBWRTDJRYRW-OCVGTWLNSA-N
MW363.46 g/mol
LogP1.34
Rot. Bonds5

About (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 70743247) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID70743247
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C19H29N3O4/c1-12-6-21(7-13(2)25-12)8-15-9-22(10-16(15)11-23)19(24)18-5-17(20-26-18)14-3-4-14/h5,12-16,23H,3-4,6-11H2,1-2H3/t12-,13+,15-,16-/m1/s1
InChIKeyZOBCBWRTDJRYRW-OCVGTWLNSA-N
XLogP1.34
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 70743247) is (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is C[C@@H]1CN(C[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]2CO)C[C@H](C)O1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZOBCBWRTDJRYRW-OCVGTWLNSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12-6-21(7-13(2)25-12)8-15-9-22(10-16(15)11-23)19(24)18-5-17(20-26-18)14-3-4-14/h5,12-16,23H,3-4,6-11H2,1-2H3/t12-,13+,15-,16-/m1/s1.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70743247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).