(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C14H13F3N2O3 — CID 97257065

IUPAC(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(=O)n([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O3/c1-8-7-12(20)19(22-8)9(2)13(21)18-11-6-4-3-5-10(11)14(15,16)17/h3-7,9H,1-2H3,(H,18,21)/t9-/m0/s1
InChIKeyODEYWXHUPKOSCE-VIFPVBQESA-N
MW314.26 g/mol
LogP2.97
Rot. Bonds3

About (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 97257065) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID97257065
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(=O)n([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O3/c1-8-7-12(20)19(22-8)9(2)13(21)18-11-6-4-3-5-10(11)14(15,16)17/h3-7,9H,1-2H3,(H,18,21)/t9-/m0/s1
InChIKeyODEYWXHUPKOSCE-VIFPVBQESA-N
XLogP2.97
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 1112265
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409757
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
1-[(2S)-3-methylbutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51944178
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409763
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 97257065) is (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(=O)n([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1.
What is the InChIKey of (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ODEYWXHUPKOSCE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8-7-12(20)19(22-8)9(2)13(21)18-11-6-4-3-5-10(11)14(15,16)17/h3-7,9H,1-2H3,(H,18,21)/t9-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97257065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).