(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone

C91H114ClF9N14O10 — CID 158921954

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1.CC(C)N1CCCC1C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/3C19H22F3N3O2.C18H22ClN3O2.C16H26N2O2/c3*1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22;1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13;1-11(2)18-8-6-7-13(18)14(19)9-12-10-15(20-17-12)16(3,4)5/h3*6-7,10-11,14H,4-5,8-9H2,1-3H3;6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23);10-11,13H,6-9H2,1-5H3/t2*14-;;14-;/m10.0./s1
InChIKeyJHYCFCDUPNJRGD-OXLHHUCWSA-N
MW1770.44 g/mol
LogP19.69
Rot. Bonds19

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone (PubChem CID 158921954) has the molecular formula C91H114ClF9N14O10 and a molecular weight of 1770.44 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
PubChem CID158921954
Molecular FormulaC91H114ClF9N14O10
Molecular Weight1770.44 g/mol
Exact Mass1768.84
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1.CC(C)N1CCCC1C(=O)Cc1cc(C(C)(C)C)on1
InChIInChI=1S/3C19H22F3N3O2.C18H22ClN3O2.C16H26N2O2/c3*1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22;1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13;1-11(2)18-8-6-7-13(18)14(19)9-12-10-15(20-17-12)16(3,4)5/h3*6-7,10-11,14H,4-5,8-9H2,1-3H3;6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23);10-11,13H,6-9H2,1-5H3/t2*14-;;14-;/m10.0./s1
InChIKeyJHYCFCDUPNJRGD-OXLHHUCWSA-N
XLogP19.69
TPSA282.40 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.44
LogP ≤ 519.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone (CID 158921954) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone is CC(C)(C)c1cc(CC(=O)C2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1.CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1.CC(C)N1CCCC1C(=O)Cc1cc(C(C)(C)C)on1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The InChIKey is JHYCFCDUPNJRGD-OXLHHUCWSA-N. The full InChI is InChI=1S/3C19H22F3N3O2.C18H22ClN3O2.C16H26N2O2/c3*1-18(2,3)16-10-13(24-27-16)9-15(26)14-5-4-8-25(14)17-7-6-12(11-23-17)19(20,21)22;1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13;1-11(2)18-8-6-7-13(18)14(19)9-12-10-15(20-17-12)16(3,4)5/h3*6-7,10-11,14H,4-5,8-9H2,1-3H3;6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23);10-11,13H,6-9H2,1-5H3/t2*14-;;14-;/m10.0./s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone has a molecular weight of 1770.44 g/mol, XLogP of 19.69, 19 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-propan-2-ylpyrrolidin-2-yl)ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone;2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 158921954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).