N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C21H19F3N4O3 — CID 59301365

IUPACN-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)nc2)C1
InChIInChI=1S/C21H19F3N4O3/c1-30-15-9-10-28(12-15)14-7-8-16(25-11-14)26-19(29)17-18(21(22,23)24)31-20(27-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,25,26,29)/t15-/m0/s1
InChIKeyGFDUPVLYAPUSDU-HNNXBMFYSA-N
MW432.40 g/mol
LogP4.23
Rot. Bonds5

About N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 59301365) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID59301365
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)nc2)C1
InChIInChI=1S/C21H19F3N4O3/c1-30-15-9-10-28(12-15)14-7-8-16(25-11-14)26-19(29)17-18(21(22,23)24)31-20(27-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,25,26,29)/t15-/m0/s1
InChIKeyGFDUPVLYAPUSDU-HNNXBMFYSA-N
XLogP4.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-3-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenoxy]pyrrolidin-1-yl]benzoic acid
CID 46833514
methyl 2-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperazine-1-carbonyl]cyclopentane-1-carboxylate
CID 66738337
5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 38139634
N-[6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 86632274
N-[6-[(3R)-3-[acetyl(methyl)amino]pyrrolidin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301432
ethyl 3-[[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]pyrimidin-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 163530120
4-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 68722290
cis-(1R,3S)-3-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 25119014
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 16757011
4-[4-[3-fluoro-4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 25121474
N-[6-(2-hydroxyethylamino)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301302
trans-benzyl (1S,2S)-2-[methyl-[1-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamoyl]cyclopentane-1-carboxylate
CID 66738301

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 59301365) is N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CO[C@H]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)nc2)C1.
What is the InChIKey of N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GFDUPVLYAPUSDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-15-9-10-28(12-15)14-7-8-16(25-11-14)26-19(29)17-18(21(22,23)24)31-20(27-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,25,26,29)/t15-/m0/s1.
What are the key properties of N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59301365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).