(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

C20H26N2O3 — CID 134701122

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C20H26N2O3/c1-5-16-19(14(4)25-21-16)20(23)22-11-17(13(2)3)24-18(12-22)15-9-7-6-8-10-15/h6-10,13,17-18H,5,11-12H2,1-4H3/t17-,18+/m1/s1
InChIKeyDCJQTPWDSHNHBM-MSOLQXFVSA-N
MW342.44 g/mol
LogP3.78
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (PubChem CID 134701122) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
PubChem CID134701122
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C20H26N2O3/c1-5-16-19(14(4)25-21-16)20(23)22-11-17(13(2)3)24-18(12-22)15-9-7-6-8-10-15/h6-10,13,17-18H,5,11-12H2,1-4H3/t17-,18+/m1/s1
InChIKeyDCJQTPWDSHNHBM-MSOLQXFVSA-N
XLogP3.78
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (CID 134701122) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is CCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)C)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The InChIKey is DCJQTPWDSHNHBM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-16-19(14(4)25-21-16)20(23)22-11-17(13(2)3)24-18(12-22)15-9-7-6-8-10-15/h6-10,13,17-18H,5,11-12H2,1-4H3/t17-,18+/m1/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 134701122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).