N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide

C13H15F3N2O3 — CID 81198677

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H15F3N2O3/c1-17-10-6-21-5-8(10)12(20)18-9-4-7(13(14,15)16)2-3-11(9)19/h2-4,8,10,17,19H,5-6H2,1H3,(H,18,20)
InChIKeyBXOHGHPWBJMMFI-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.58
Rot. Bonds3

About N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide

N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 81198677) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID81198677
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H15F3N2O3/c1-17-10-6-21-5-8(10)12(20)18-9-4-7(13(14,15)16)2-3-11(9)19/h2-4,8,10,17,19H,5-6H2,1H3,(H,18,20)
InChIKeyBXOHGHPWBJMMFI-UHFFFAOYSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265190
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266165
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66266071
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
4-bromo-2-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265243
N-(2-methoxy-5-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265957
N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 114252133
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66267561
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
CID 66266779

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide (CID 81198677) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is BXOHGHPWBJMMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-17-10-6-21-5-8(10)12(20)18-9-4-7(13(14,15)16)2-3-11(9)19/h2-4,8,10,17,19H,5-6H2,1H3,(H,18,20).
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 81198677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).