(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide

C21H26F3N3O3 — CID 97332747

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H26F3N3O3/c1-14(19-15(2)25-30-16(19)3)20(28)27(8-7-26-9-11-29-12-10-26)18-6-4-5-17(13-18)21(22,23)24/h4-6,13-14H,7-12H2,1-3H3/t14-/m0/s1
InChIKeyFXOWTIOYKRVNTG-AWEZNQCLSA-N
MW425.45 g/mol
LogP3.78
Rot. Bonds6

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 97332747) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID97332747
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H26F3N3O3/c1-14(19-15(2)25-30-16(19)3)20(28)27(8-7-26-9-11-29-12-10-26)18-6-4-5-17(13-18)21(22,23)24/h4-6,13-14H,7-12H2,1-3H3/t14-/m0/s1
InChIKeyFXOWTIOYKRVNTG-AWEZNQCLSA-N
XLogP3.78
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 97332747) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1noc(C)c1[C@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FXOWTIOYKRVNTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-14(19-15(2)25-30-16(19)3)20(28)27(8-7-26-9-11-29-12-10-26)18-6-4-5-17(13-18)21(22,23)24/h4-6,13-14H,7-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 425.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).