N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide

C20H17F3N4O4 — CID 4227522

IUPACN-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NC(CO)C(=O)Nc1ccon1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)12-4-3-5-13(10-12)24-15-7-2-1-6-14(15)18(29)25-16(11-28)19(30)26-17-8-9-31-27-17/h1-10,16,24,28H,11H2,(H,25,29)(H,26,27,30)
InChIKeyUYMJCZRBRRCIGM-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.17
Rot. Bonds7

About N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide

N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 4227522) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID4227522
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC NameN-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NC(CO)C(=O)Nc1ccon1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)12-4-3-5-13(10-12)24-15-7-2-1-6-14(15)18(29)25-16(11-28)19(30)26-17-8-9-31-27-17/h1-10,16,24,28H,11H2,(H,25,29)(H,26,27,30)
InChIKeyUYMJCZRBRRCIGM-UHFFFAOYSA-N
XLogP3.17
TPSA116.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 6724590
N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
CID 4623413
N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 6724603
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2321982
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 166247033
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide (CID 4227522) is N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide is O=C(NC(CO)C(=O)Nc1ccon1)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is UYMJCZRBRRCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)12-4-3-5-13(10-12)24-15-7-2-1-6-14(15)18(29)25-16(11-28)19(30)26-17-8-9-31-27-17/h1-10,16,24,28H,11H2,(H,25,29)(H,26,27,30).
What are the key properties of N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide?
N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 434.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 4227522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).