(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C16H19F3N2O2 — CID 39964639

IUPAC(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCCO1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h5-6,10,14H,1-4,7-9H2,(H,20,22)/t14-/m0/s1
InChIKeyJPXKZRUINJSZCS-AWEZNQCLSA-N
MW328.33 g/mol
LogP3.42
Rot. Bonds3

About (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 39964639) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID39964639
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCCO1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h5-6,10,14H,1-4,7-9H2,(H,20,22)/t14-/m0/s1
InChIKeyJPXKZRUINJSZCS-AWEZNQCLSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
(2S,5R)-5-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796839
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
(3S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7996245
(1S)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 8849710
4-(cyclopropanecarbonyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 47032802
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 120639496
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 39964639) is (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is JPXKZRUINJSZCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h5-6,10,14H,1-4,7-9H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 39964639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).