5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide

C17H17F3N4O3 — CID 154861132

IUPAC5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CNC(=O)N2CCC(c3cccc(C(F)(F)F)c3)C2)on1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-24(9-11)16(26)22-8-13-7-14(15(21)25)23-27-13/h1-3,6-7,11H,4-5,8-9H2,(H2,21,25)(H,22,26)
InChIKeyKSAUVSNDGHLQAO-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.49
Rot. Bonds4

About 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide

5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 154861132) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID154861132
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(CNC(=O)N2CCC(c3cccc(C(F)(F)F)c3)C2)on1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-24(9-11)16(26)22-8-13-7-14(15(21)25)23-27-13/h1-3,6-7,11H,4-5,8-9H2,(H2,21,25)(H,22,26)
InChIKeyKSAUVSNDGHLQAO-UHFFFAOYSA-N
XLogP2.49
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123600972
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 146135039
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110050053
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
CID 171152601
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110050070
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 167823753
[(1S,5R)-3-[4-(1-methylpyrazol-4-yl)cyclohexyl]-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123770615

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide (CID 154861132) is 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide is NC(=O)c1cc(CNC(=O)N2CCC(c3cccc(C(F)(F)F)c3)C2)on1.
What is the InChIKey of 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KSAUVSNDGHLQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)12-3-1-2-10(6-12)11-4-5-24(9-11)16(26)22-8-13-7-14(15(21)25)23-27-13/h1-3,6-7,11H,4-5,8-9H2,(H2,21,25)(H,22,26).
What are the key properties of 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide?
5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154861132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).